  | Zhang, J., Bastogne, L., He, X., Tang, G., Zhang, Y., Ghosez, P., & Wang, J. (2023). Structural phase transitions and dielectric properties of BaTiO3 from a second-principles method. Physical Review. B, (108), 134117. doi:10.1103/PhysRevB.108.134117  Peer Reviewed verified by ORBi |
 | Zhang, H., Chih-Hsuan, C., Bastogne, L., Sasani, A., & Ghosez, P. (2023). Tuning the energy landscape of CaTiO3 into that of antiferroelectric PbZrO3. Physical Review. B, (108), 140304. doi:10.1103/PhysRevB.108.L140304 Peer Reviewed verified by ORBi |
 | Zhang, Y., Zhang, J., Li, J., Sahoo, M. P. K., He, X., Wang, J., & Ghosez, P. (2023). Displacive phase transitions in infinite-layer nickelates from first- and second-principles calculations. Physical Review. B, (108), 165117. doi:10.1103/PhysRevB.108.165117 Peer Reviewed verified by ORBi |
 | Mazzola, F.* , Hassani, H.* , Amoroso, D., Chaluvadi, S. K., Fujii, J., Polewczyk, V., Rajak, P., Koegler, M., Ciancio, R., Partoens, B., Rossi, G., Vobornik, I., Ghosez, P., & Orgiani, P. (2023). Unveiling the electronic structure of pseudo-tetragonal WO$_3$ thin films. Physical Review Materials. Editorial reviewed* These authors have contributed equally to this work. |
 | Bennett, D., Chaudhary, G., Slager, R.-J., Bousquet, E., & Ghosez, P. (24 March 2023). Polar meron-antimeron networks in strained and twisted bilayers. Nature Communications, 14 (1), 1629. doi:10.1038/s41467-023-37337-8 Peer Reviewed verified by ORBi |
 | Mazzola, F., Hassani, H., Amoroso, D., Chaluvadi, S. K., Fujii, J., Polewczyk, V., Rajak, P., Koegler, M., Ciancio, R., Partoens, B., Rossi, G., Vobornik, I., Ghosez, P., & Orgiani, P. (2023). Unveiling the Electronic Structure of Pseudotetragonal WO3 Thin Films. Journal of Physical Chemistry Letters, 14, 7208. doi:10.1021/acs.jpclett.3c01546 Peer reviewed |
 | Zhang, Y., Zhang, J., He, X., Wang, J., & Ghosez, P. (2023). Rare-earth control of phase transitions in infinite-layer nickelates. PNAS Nexus, 2, 1-10. doi:10.1093/pnasnexus/pgad108 Peer reviewed |
 | Zhang, Y., He, X., Zhang, J., Wang, J., & Ghosez, P. (2023). Incommensurate Magnetic Order in Hole-Doped Infinite-Layer Nickelate Superconductors due to Competing Magnetic Interactions. Advanced Functional Materials, 2304187. doi:10.1002/adfm.202304187 Peer Reviewed verified by ORBi |
 | Rischau, C.-W., He, X., Mazza, G., Gariglio, S., Triscone, J.-M., Ghosez, P., & del Valle, J. (2023). Oxygen isotope effect in VO2. Physical Review. B, 107, 115139. doi:10.1103/PhysRevB.107.115139 Peer Reviewed verified by ORBi |
 | Zhang, Y., He, X., & Ghosez, P. (2023). Magnetic excitations in infinite-layer LaNiO2. Applied Physics Letters, 122, 152401. Peer Reviewed verified by ORBi |
 | Amisi, S., Lambin, P., & Ghosez, P. (2023). Structural and dynamical phase transitions of NaNbO3 from first-princiles calculations. Physical Review Materials, 7, 024408. Peer Reviewed verified by ORBi |
 | Zhang, Y., Han, P., Sahoo, M. P. K., He, X., Wang, J., & Ghosez, P. (28 December 2022). Designing orbital and charge ordering multiferroics by superlattice strategy and strain engineering. Physical Review. B, 106, 235156. doi:10.1103/PhysRevB.106.235156 Peer Reviewed verified by ORBi |
Hassani, H., Partoens, B., Bousquet, E., & Ghosez, P. (2022). Origin of medium-size polarons in WO3 [Poster presentation]. 19th International conference on Density Functional Theory and its applications (DFT 2022). Peer reviewed |
Ghosez, P. (2022). On the origin of polarons in ABO3 oxide perovskites : a first-principles study [Paper presentation]. IEEE ISAF-PFM-ECAPD Joint Conference 2022, Tours, France. Peer reviewed |
Ghosez, P. (2022). Calcium Titanate : a reinvestigation [Paper presentation]. E-MRS Fall Meeting, Warsaw, Poland. Peer reviewed |
Hassani, H., Partoens, B., Bousquet, E., & Ghosez, P. (2022). Origin of medium-size polaronsin WO3 [Paper presentation]. E-MRS Fall Meeting, Warsaw, Poland. Peer reviewed |
 | Bennett, D., Tanner, D., Ghosez, P., Janolin, P.-E., & Bousquet, E. (2022). Generalized relation between electromechanical responses at fixed voltage and fixed electric field. Physical Review. B, 106, 174105. doi:10.1103/PhysRevB.106.174105 Peer Reviewed verified by ORBi |
  | Hassani, H., Partoens, B., Bousquet, E., & Ghosez, P. (2022). First-principles study of lattice dynamical properties of the room-temperature P21/n and ground-state P21/c phases of WO3. Physical Review. B, 105 (1). doi:10.1103/PhysRevB.105.014107 Peer Reviewed verified by ORBi |
Bastogne, L., & Ghosez, P. (2022). Second-principles modelling of ABO3 perovskites with MULTIBINIT [Paper presentation]. 19th International conference on Density Functional Theory and its applications (DFT 2022), Bruxelles, Belgium. Peer reviewed |
Tong, W., Zhao, J.-Z., & Ghosez, P. (2022). Missed ferroelectricity in methylammonium lead iodide [Poster presentation]. 19th International conference on Density Functional Theory and its applications (DFT 2022), Bruxelles, Belgium. Peer reviewed |
Ghosez, P. (2022). Second-principle modelling of ferroelectric and multiferroic perovskite oxides [Paper presentation]. 13th APCTP Workshop on Multiferroics, Nanjing, China. Peer reviewed |
Bastogne, L., & Ghosez, P. (2022). Second-principles modelling of ABO3 perovskites with MULTIBINIT [Paper presentation]. E-MRS Fall Meeting, Warsaw, Poland. Peer reviewed |
 | Toulouse, C., Amoroso, D., Oliva, R., Xin, C., Bouvier, P., Fertey, P., Veber, P., Maglione, M., Ghosez, P., Kreisel, J., & Guennou, M. (2022). Stability of the tetragonal phase of BaZrO3 under high pressure. Physical Review. B, Condensed Matter, 106, 064105. doi:10.1103/PhysRevB.106.064105 Peer Reviewed verified by ORBi |
 | Tong, W.-Y., Zhao, J. Z., & Ghosez, P. (2022). Missed ferroelectricity in methylammonium lead iodide. npj Computational Materials, 8, 165. doi:10.1038/s41524-022-00848-x Peer Reviewed verified by ORBi |
 | Tong, W. Y., Bousquet, E., Spreitzer, M., & Ghosez, P. (2022). First-principles investigation of interfacial reconstruction in epitaxial SrTiO3/Si photocathodes. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 126, 1813. doi:10.1021/acs.jpcc.2c04361 Peer Reviewed verified by ORBi |
 | Ghosez, P., & Junquera, J. (2022). Modeling of ferroelectric perovskites : from first to second principles. Annual Review of Condensed Matter Physics, 13, 325. doi:10.1146/annurev-conmatphys-040220-045528 Peer reviewed |
 | Pallecchi, I., Daniel, B. I., Pani, M., Ricci, F., Lemal, S., Ghosez, P., & Marré, D. (2022). Roles of defects and Sb-doping in the thermoelectric properties of full-Heusler Fe2TiSn. ACS Applied Materials and Interfaces, 14, 25722. doi:10.1021/acsami.2c04474 Peer Reviewed verified by ORBi |
Ghosez, P. (2022). On the origin of polarons in ABO3 oxide perovskites : a first-principles study [Paper presentation]. 2022 Workshop on Transition Metal Oxide Physics, Chamonix, France. Peer reviewed |
Tong, W., Zhao, J.-Z., & Ghosez, P. (2022). On the potential ferroelectric behavior of methylammonium lead lodide [Poster presentation]. 2022 Workshop on the Fundamental Physics of Ferroelectrics and related materials, Washington, United States. Peer reviewed |
 | Bastogne, L., Schmitt, M., Bieder, J., & Ghosez, P. (February 2021). Constructing second-principles effective atomic potentials with MULTIBINIT [Poster presentation]. Fundamental Physics of Ferroelectrics Workshop. |
Schmitt, M. M., Bastogne, L., Bieder, J., & Ghosez, P. (2021). MULTIBINIT lattice part : from ab initio data to predictive atomic potentials [Paper presentation]. 10th ABINIT International Developer Workshop, on line. Peer reviewed |
Schmittt, M. M., & Ghosez, P. (2021). Fully atomistic second-principles effective lattice potential for CaTiO3 [Paper presentation]. Fundamental Physics of Ferroelectrics, on-line. Peer reviewed |
Ghosez, P. (2021). From first- to second-principles modelling of ferroelectric oxides : a short overview [Paper presentation]. IEEE-UFCC-ISAF 2021, Virtual conference. Peer reviewed |
 | Markov, M., Alaerts, L., Miranda, H. P. C., Petretto, G., Chen, W., George, J., Bousquet, E., Ghosez, P., Rignanese, G. M., & Hautier, G. (2021). Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures. Proceedings of the National Academy of Sciences of the United States of America, 118, 2026020118. doi:10.1073/pnas.2026020118 Peer Reviewed verified by ORBi |
 | Spreitzer, M., Klement, D., Parkelj Potocnik, T., Trstenjak, U., Jovanovic, Z., Nguyen, M., Yuan, H., ten Elshof, J., Houwman, E., Koster, G., Rijnders, G., Fompeyrine, J., Kornblum, L., Fenning, D., Liang, Y., Tong, W.-Y., & Ghosez, P. (2021). Epitaxial ferroelectric oxides on silicon with perspectives for future device applications. APL Materials, 9, 040701. doi:10.1063/5.0039161 Peer Reviewed verified by ORBi |
Ghosez, P. (2021). Modelling of ferroelectric oxyde perovskites : from first- to second-principles [Paper presentation]. 12th International conference on High Performance Ceramics (CICC-12), on line. Peer reviewed |
 | Tang, G., Ghosez, P., & Hong, J. (2021). Band-Edge Orbital Engineering of Perovskite Semiconductors for Optoelectronic. Journal of Physical Chemistry Letters, 12, 27084. doi:10.1021/acs.jpclett.0c03816 Peer Reviewed verified by ORBi |
 | Bilc, D., Benea, D., Pop, V., Ghosez, P., & Verstraete, M. (2021). Electronic and Thermoelectric Properties of Transition-Metal Dichalcogenides. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 125 (49), 27084-27097. doi:10.1021/acs.jpcc.1c07088 Peer Reviewed verified by ORBi |
 | Tang, G., Wang, V., Zhang, Y., Ghosez, P., & Hong, J. (2021). Orbital-Energy Splitting in Anion Ordered Ruddlesden-Popper Halide Perovskites for Tunable Optoelectronic Applications. Journal of Power Sources, 514, 230546. doi:10.1016/j.jpowsour.2021.230546 Peer Reviewed verified by ORBi |
 | Zhang, Y., Xu, H., Sun, M., Wang, J., & Ghosez, P. (11 February 2020). Switchable metal-to-half-metal transition at the semi-hydrogenated graphene/ferroelectric interface. Nanoscale, 12, 5067. doi:10.1039/C9NR08627G Peer Reviewed verified by ORBi |
 | Schmitt, M., Zhang, Y., Mercy, A., & Ghosez, P. (2020). Electron-lattice interplays in LaMnO 3 from canonical Jahn-Teller distortion notations. ORBi-University of Liège. https://orbi.uliege.be/handle/2268/247668. |
 | Djani-Ait, H., McCabe, E., Zhang, W., Halasyamani, P. S., Feteira, A., Bieder, J., Bousquet, E., & Ghosez, P. (2020). Bi2W2O9: A potentially antiferroelectric Aurivillius phase. Physical Review. B, 101, 134113. doi:10.1103/PhysRevB.101.134113 Peer Reviewed verified by ORBi |
 | Zhang, Y., Wang, J., & Ghosez, P. (2020). Unraveling the Suppression of Oxygen Octahedra Rotations in A3B2O7 Ruddlesden-Popper Compounds : Engineering Multiferroicity and Beyond. Physical Review Letters, 125, 157601. doi:10.1103/PhysRevLett.125.157601 Peer Reviewed verified by ORBi |
 | Goian, V., Held, R., Bousquet, E., Yuan, Y., Melville, A., Zhou, H., Gopalan, V., Ghosez, P., Spaldin, N. A., Schlom, D. G., & Kamba, S. (2020). Making EuO multiferroic by epitaxial strain engineering. Communications Materials, 1, 74. doi:10.1038/s43246-020-00075-1 Peer Reviewed verified by ORBi |
 | Dominguez, C., Georgescu, A. B., Mundet, B., Zhang, Y., Fowlie, J., Mercy, A., Waelchli, A., Catalano, S., Alexander, D. T. L., Ghosez, P., Georges, A., Millis, A. J., Gibert, M., & Triscone, J.-M. (2020). Length scales of interfacial coupling between metal and insulator phases in oxides. Nature Materials, 19, 1182. doi:10.1038/s41563-020-0757-x Peer Reviewed verified by ORBi |
 | Bieder, J., Mercy, A., Tong, W., & Ghosez, P. (2020). Optical spectra of rare-earth nickelates. Physical Review. B, 102, 081111. doi:10.1103/PhysRevB.102.081111 Peer Reviewed verified by ORBi |
 | Bousquet, E., Hamdi, H., Aguado-Puente, P., Salje, E. K. H., Artacho, E., & Ghosez, P. (2020). First-principles characterization of single-electron polaron in WO3. Physical Review Research, 2, 012052. doi:10.1103/PhysRevResearch.2.012052 Peer reviewed |
 | Garcia-Castro, A. C., Ghosez, P., Bousquet, E., & Romero, A. (2020). Oxyfluoride superlattices KTaO3/KMF3 (M=Zn, Ni): Structural and electronic phenomena. Physical Review. B, 102, 235140. doi:10.1103/PhysRevB.102.235140 Peer Reviewed verified by ORBi |
 | Schmitt, M., Zhang, Y., Mercy, A., & Ghosez, P. (2020). Electron-lattice interplay in LaMnO3 from canonical Jahn-Teller distortion notations. Physical Review. B, 101, 214304. doi:10.1103/PhysRevB.101.214304 Peer Reviewed verified by ORBi |
 | Lemal, S., Bristowe, N. C., & Ghosez, P. (2020). Polarity-field driven conductivity in SrTiO3/LaAIO3 : A hybrid functional study. Physical Review. B, 102, 115309. doi:10.1103/PhysRevB.102.115309 Peer Reviewed verified by ORBi |
 | Jovanovic, Z., Gauquelin, N., Koster, G., Rubio-Zuazo, J., Ghosez, P., Verbeeck, J., Suvorov, D., & Spreitzer, M. (2020). Simultaneous heteroepitaxial growth of SrO (001) and SrO (111) during strontium-assisted deoxidation in the Si (001) surface. RSC Advances, 10, 31261. doi:10.1039/d0ra06548j Peer Reviewed verified by ORBi |
 | Romero, A., Allan, D. C., Amadon, B., Antonius, G., Applencourt, T., Baguet, L., Bieder, J., Bottin, F., Bouchet, J., Bousquet, E., Bruneval, F., Brunin, G., Caliste, D., Côté, M., Denier, J., Dreyer, C., Ghosez, P., Giantomassi, M., Gillet, Y., ... Gonze, X. (2020). ABINIT: Overview and focus on selected capabilities. Journal of Chemical Physics, 152 (12), 124102. doi:10.1063/1.5144261 Peer Reviewed verified by ORBi |
 | Caputo, M., Boselli, M., Filippetti, A., Lemal, S., Li, D., Chickina, A., Cancellieri, C., Schmitt, T., Triscone, J.-M., Ghosez, P., Gariglio, S., & Strocov, V. (2020). Artificial quantum confinement in LAO/STO heterostructure. Physical Review Materials, 4, 035001. doi:10.1103/PhysRevMaterials.4.035001 Peer Reviewed verified by ORBi |
 | Gonze, X., Amadon, B., Antonius, G., Anardi, F., Baguet, L., Beuken, J.-M., Bieder, J., Bottin, F., Bouchet, J., Bousquet, E., Brouwer, N., Bruneval, F., Brunin, G., Cavignac, T., Charraud, J.-B., Chen, W., Côté, M., Cottenier, S., Denier, J., ... Zwanziger, J. W. (2020). The ABINIT project, impact, environment and recent developments. Computer Physics Communications, 248, 107042. doi:10.1016/j.cpc.2019.107042 Peer Reviewed verified by ORBi |
 | Schmitt, M., Zhang, Y., Mercy, A., Bousquet, E., & Ghosez, P. (17 October 2019). Canonical Jahn-Teller Distortion Notations: Understanding Structural-Electronic Interplays in e1g Perovskites [Paper presentation]. 2019 Workshop on Transition Metal Oxide Physics Hotel Bristol, Stresa, Italy, Stresa, Italy. |
 | Lemal, S., Ricci, F., Bilc, D., Verstraete, M., & Ghosez, P. (14 October 2019). Magnetic instabilities in doped Fe2YZ full-Heusler thermoelectric compounds. Physical Review. B, 100, 161201. doi:10.1103/PhysRevB.100.161201 Peer Reviewed verified by ORBi |
 | Zhang, Y., Mercy, A., Schmitt, M., & Ghosez, P. (01 October 2019). Revisiting the role of strain engineering in NdNiO3 thin film from first-principles calculations [Paper presentation]. 26TH INTERNATIONAL WORKSHOP ON OXIDE ELECTRONICS. |
 | Zhang, Y., Jie, W., & Ghosez, P. (23 September 2019). Unraveling the suppression of oxygen rotations motions from ABO3 to A3B2O7 perovskites : new perspectives for room-temperature multiferroics [Paper presentation]. The 11th China and Japan Symposium on Ferroelectric Materials and Their Applications. |
Ghosez, P. (17 July 2019). From first to second-principles modeling of ferroelectric oxides: the MULTIBINIT software project [Paper presentation]. 2019 European Meeting of Ferroelectricity (EMF 2019 et F2CP2), Lausanne, Switzerland. |
| Zhang, Y., jie, W., & Ghosez, P. (16 July 2019). Unraveling the suppression of oxygen rotations motions from ABO3 to A3B2O7 perovskites : new perspectives for room-temperature multiferroics [Paper presentation]. 2019 IEEE International Symposium on Applications of Ferroelectrics (ISAF). |
 | Kumar, D., David, A., Fouchet, A., Pautrat, A., Varignon, J., Jung, C. U., Lüders, U., Domengès, B., Copie, O., Ghosez, P., & Prellier, W. (03 June 2019). Magnetism tailored by mechanical strain engineering in PrVO3 thin films. Physical Review. B, 99, 224405. doi:10.1103/PhysRevB.99.224405 Peer Reviewed verified by ORBi |
Ricci, F., Lemal, S., Verstraete, M., & Ghosez, P. (22 May 2019). Magnetic instability in heavily n-doped Fe-based Full-Heusler compounds for thermoelectric applications [Poster presentation]. Abinit Developers Workshop 2019, Louvain-la-Neuve, Belgium. |
Tong, W., Bousquet, E., & Ghosez, P. (May 2019). Way to break silicon dimers: first-principles simulations for SrTiO3/Si interfaces [Poster presentation]. E-MRS Spring meeting, Nice, France. |
Ghosez, P. (09 April 2019). Ferroelectricity in all its forms [Paper presentation]. Institute of Condensed Matter and Nanosciences, Louvain-la-Neuve, Belgium. |
Lemal, S., Ricci, F., Verstraete, M., & Ghosez, P. (08 March 2019). Doping effects and magnetic instabilities in Full-Heusler Fe2YZ1-xAx [Paper presentation]. APS March Meeting 2019, Boston (MA), United States. |
Ricci, F., Martin, A., Garcia Castro, A. C., Bieder, J., He, X., Bousquet, E., Verstraete, M., & Ghosez, P. (08 March 2019). The second-principles MULTIBINIT software project [Paper presentation]. APS March Meeting 2019, Boston (MA), United States. |
Ghosez, P. (31 January 2019). Engineering large and reversible Rashba spin splitting in perovskite oxide and related compounds [Paper presentation]. 2019 Workshop on Fundamental Physics of Ferroelectrics (FERRO2019), Tampa, United States. |
Ghosez, P. (25 January 2019). ABO3 perovskites: why do they show distinct structural ground states and what brings a given compound into a specific one [Paper presentation]. University of South Florida (invited seminar), Tampa, United States. |
Amoroso, D., Cano, & Ghosez, P. (25 January 2019). First principles study of (Ba,Ca)TiO3 and Ba(Ti,Zr)O3 solid solutions [Paper presentation]. EMA 2019, Orlando (FL), United States. |
 | Amoroso, D., Cano, A., & Ghosez, P. (2019). Interplay between Ca- A nd Ti-driven ferroelectric distortions in (Ba, Ca)TiO3 solid solutions from first-principles calculations. Applied Physics Letters, 114, 092902. doi:10.1063/1.5065655 Peer Reviewed verified by ORBi |
 | Parkelj Potočnik, T., Zupanič, E., Tong, W., Bousquet, E., Diaz Fernandez, D., Koster, G., Ghosez, P., & Spreitzer, M. (2019). Atomic structure of Sr/Si(0 0 1)(1 × 2) surfaces prepared by Pulsed laser deposition. Applied Surface Science, 471, 664-669. doi:10.1016/j.apsusc.2018.12.027 Peer Reviewed verified by ORBi |
 | Djani-Ait, H., García Castro, A. C., Tong, W., Barone, P., Bousquet, E., Picozzi, S., & Ghosez, P. (2019). Rationalizing and engineering Rashba spin-splitting in ferroelectric oxides. npj Quantum Materials, 4, 51. doi:10.1038/s41535-019-0190-z Peer Reviewed verified by ORBi |
 | Varignon, J., Bristowe, N., Bousquet, E., & Ghosez, P. (2019). Magneto-electric multiferroics : designing new materials from first-principles calculations. In D. Meyer, A. Cano, ... M. Trassin (Eds.), Multiferroics : Fundamental and Applications. Berlin, Germany: De Gruyter. doi:10.1515/psr-2019-0069 Peer reviewed |
 | Toulouse, C., Amoroso, D., Xin, C., Veber, P., Ciomaga Hatnean, M., Blakrishnan, G., Maglione, M., Ghosez, P., Kreisel, J., & Guennou, M. (2019). Lattice dynamics and Raman spectrum of BaZrO3 single crystals. Physical Review. B, 100, 134102. doi:10.1103/PhysRevB.100.134102 Peer Reviewed verified by ORBi |
Ghosez, P. (11 December 2018). Structurally triggered metal-insulator transition in rare-earth nickelates [Paper presentation]. DESCO Workshop 2018, Antwerp, Belgium. |
Ghosez, P. (11 December 2018). Lattice distortions and their couplings in simple ABO3 perovskites [Paper presentation]. DESCO Workshop 2018, Antwerp, Belgium. |
Djani-Ait, H., García Castro, A. C., Tong, W., Bousquet, E., Barone, P., Picozzi, S., & Ghosez, P. (26 October 2018). Engineering large and reversible Rashba spin splitting in perovskite oxide and related compounds [Paper presentation]. 1st International Conference in Applied Physics and Engineering Innovation, Bucaramanga, Colombia. |
Lemal, S., Bristowe, N., & Ghosez, P. (25 October 2018). Reviewing the mechanisms behind the 2DEL at the LaAIO3-SrTiO3 interface : insights from theory [Paper presentation]. 2018 Workshop on Transition Metal Oxide Physics, Santa Margherita, Italy. |
Lemal, S., Bristowe, N., & Ghosez, P. (03 October 2018). First principles study of SrTiO3(001)/LaAIO3/SrTiO3 heterostructures [Poster presentation]. International workshop on Oxide Electronics 25, Les Diablerets, Switzerland. |
Amoroso, D., Cano, A., & Ghosez, P. (03 October 2018). First principles study of (Ba,Ca)TiO3 and Ba(Ti,Zr)O3 [Poster presentation]. iWOE25, Les Diablerets, Switzerland. |
Tong, W., Bousquet, E., & Ghosez, P. (01 October 2018). First-principles modeling for SrTiO3/Si interfaces [Poster presentation]. 25th International Workshop on Oxide Electronics, Les Diablerets, Switzerland. |
Ricci, F., Martin, A., García Castro, A. C., Bieder, J., He, X., Bousquet, E., Verstraete, M., & Ghosez, P. (20 September 2018). The second-principles MULTIBINIT software project [Paper presentation]. EMRS Fall Meeting, Varsovie, Poland. |
Amoroso, D., Cano, A., & Ghosez, P. (18 September 2018). First-principles study of (Ba,Ca)(Ti,Zr)O3 solid solutions [Paper presentation]. E-MRS Fall Meeting 2018, Varsovie, Poland. |
Tong, W., Bousquet, E., & Ghosez, P. (17 September 2018). First-principles simulation for STM images of Sr/Si(001) interfaces [Poster presentation]. E-MRS Fall Meeting 2018, Warsaw, Poland. |
Ghosez, P. (September 2018). Engineering large and reversible Rashba spin splitting in perovskite oxide and related compounds [Paper presentation]. E-MRS Fall Meeting 2018, Varsovie, Poland. |
Zhang, Y., Shimada, T., Kitamura, T., Ghosez, P., & Zhang, T.-Y. (30 August 2018). Giant magnetoelectric effect at the graphone/ferroelectric interface [Paper presentation]. IUTAM Symposium on Mechanics of Electro/Magneto-Active Materials & Structures, Beijing, China. |
 | Pallecchi, I., Pani, M., Ricci, F., Lemal, S., Bilc, D., Ghosez, P., Bernini, C., Ardoino, N., Lamura, G., & Marré, D. (17 July 2018). Thermoelectric properties of chemically substituted full-Heusler Fe2TiSn1-xSbx (x = 0, 0.1, and 0.2) compounds. Physical Review Materials, 2, 075403. doi:10.1103/PhysRevMaterials.2.075403 Peer Reviewed verified by ORBi |
Amoroso, D., Cano, A., & Ghosez, P. (10 July 2018). First principles study of piezoelectric (Ba,Ca)(Ti,Zr)O3 solid solutions [Paper presentation]. Electroceramics XVI, Hasselt, Belgium. |
Ricci, F., Lemal, S., Verstraete, M., & Ghosez, P. (05 July 2018). Magnetic instability in heavily n-doped Fe-based Full-Heusler compounds for thermoelectric applications [Poster presentation]. International Conference on Thermoelectrics 2018, Pasadena, United States. |
Zhang, Y., Schmitt, M., Mercy, A., Wang, J., & Ghosez, P. (29 June 2018). From charge to orbital ordered metal-insulator transition in alkaline-earth ferrites [Paper presentation]. The XXIVth International Symposium on the Jahn-Teller effect, Santander, Spain. |
 | Schmitt, M., Zhang, Y., Mercy, A., Bousquet, E., & Ghosez, P. (28 June 2018). LaMnO3 Revisited [Paper presentation]. The XXIVth International Symposium on the Jahn-Teller Effect, Santander, Spain. |
Amoroso, D., Cano, A., & Ghosez, P. (09 June 2018). First-principles study of (Ba,Ca)(Ti,Zr)O3 solid solutions [Paper presentation]. SPSSM 2018 : Symposium on Structure-Property Relationship in Solid State Materials, Pescara, Italy. |
Ricci, F., Martin, A., Dewandre, A., Lemal, S., Verstraete, M., & Ghosez, P. (29 May 2018). A first preliminary second-principles effective potential in the full-Heusler Fe2Val for thermoelectrics [Paper presentation]. Second Principles Workshop, Liège, Belgium. |
Ghosez, P. (29 March 2018). Multifunctional perovskites oxides : what can we learn from the atomic structure ? [Paper presentation]. British Crystallography Association Spring Meeting, Warwick, United Kingdom. |
Gariglio, S., Meley, H., de Bruijckere, J., Alexander, D., Karandeep, Ghosez, P., & Trisone, J.-M. (09 March 2018). Structural Analysis of Orthorhombic Distortions in Perovskite Thin Films under Epitaxial Strain and Their Consequences on the Electronic Properties [Paper presentation]. 2018 March Meeting of the American Physical Society, Los Angeles, United States. |
 | Amoroso, D., Cano, A., & Ghosez, P. (March 2018). First-principles study of (Ba,Ca)(Ti,Zr)O3 solid solutions [Paper presentation]. EJD-FunMat Training School and General Meeting, Luxembourg, Luxembourg. |
Amoroso, D., Cano, A., & Ghosez, P. (March 2018). First-principles study of (BaCa)TiO3 and Ba(TiZr)O3 [Poster presentation]. EJD-FunMat Training School and Annual Meeting, Luxembourg, Luxembourg. |
Amoroso, D., Cano, A., & Ghosez, P. (30 January 2018). First-principles study of piezoelectric (Ba,Ca)(Ti,Zr)O3 solid solutions [Paper presentation]. Fundamental Physics of Ferroelectrics 2018, Washington D.C., United States. |
 | Amoroso, D., Cano, A., & Ghosez, P. (2018). First-principles study of (Ba,Ca)TiO3 and Ba(Ti,Zr) O3 solid solutions. Physical Review. B, 97, 174108. doi:10.1103/PhysRevB.97.174108 Peer Reviewed verified by ORBi |
 | Meley, H., Karandeep, Oberson, L., De Bruijckere, J., Alexander, D. T. L., Triscone, J.-M., Ghosez, P., & Gariglio, S. (2018). Structural analysis of LaVO3 thin films under epitaxial strain. APL Materials, 6, 046102. doi:10.1063/1.5021844 Peer Reviewed verified by ORBi |
 | Wang, J., Zhang, Y., Sahoo, M. P. K., Shimada, T., Kitamura, T., Ghosez, P., & Zhang, T.-Y. (2018). Giant magnetoelectric effect at the graphone/ferroelectric interface. Scientific Reports, 8, 12448. doi:10.1038/s41598-018-30010-x Peer Reviewed verified by ORBi |
 | Meley, H., Karandeep, Oberson, L., De Bruijckere, J., Alexander, D. T. L., Triscone, J.-M., Ghosez, P., & Gariglio, S. (2018). Erratum: Structural analysis of LaVO3 thin films under epitaxial strain. APL Materials, 6, 046102. doi:10.1063/1.5037455 Peer Reviewed verified by ORBi |
 | Liao, Z., Gauquelin, N., Green, R. J., Müller-Caspary, K., Lobato, I., Li, L., Van Aert, S., Verbeeck, J., Huijben, M., Grisolia, M. N., Rouco, V., El Hage, R., Villegas, J. E., Mercy, A., Bibes, M., Ghosez, P., Sawatzky, G. A., Rijnders, G., & Koster, G. (2018). Metal–insulator-transition engineering by modulation tilt-control in perovskite nickelates for room temperature optical switching. Proceedings of the National Academy of Sciences of the United States of America, 115 (38), 9515-9520. doi:10.1073/pnas.1807457115 Peer Reviewed verified by ORBi |
Hoebeke, M., Ghosez, P., & Llabres, G. (2018). Physique. (4ème éd). Paris, France: Dunod. |
 | Li, D., Lemal, S., Gariglio, S., Wu, Z., Fête, A., Boselli, M., Ghosez, P., & Triscone, J.-M. (2018). Probing Quantum Confinement and Electronic Structure at Polar Oxide Interfaces. Advanced Science, 5, 1800242. doi:10.1002/advs.201800242 Peer Reviewed verified by ORBi |
 | Zhang, Y., Schmitt, M., Mercy, A., Wang, J., & Ghosez, P. (2018). From charge- to orbital-ordered metal-insulator transition in alkaline-earth ferrites. Physical Review. B, 98 (8), 081108. doi:10.1103/PhysRevB.98.081108 Peer Reviewed verified by ORBi |
Ricci, F., Lemal, S., Verstraete, M., & Ghosez, P. (12 December 2017). Magnetic instability in heavily n-doped Fe-based Full-Heusler compounds for thermoelectric applications [Paper presentation]. 1st Workshop on Thermoelectric Transport with Nanowires, Eindhoven, Netherlands. |
 | Varignon, J., Grisolia, M., Preziosi, D., Ghosez, P., & Bibes, M. (04 December 2017). Origin of the orbital and spin ordering in rare-earth titanates. Physical Review. B, 96, 235106. doi:10.1103/PhysRevB.96.235106 Peer Reviewed verified by ORBi |
Mercy, A., Bieder, J., Iniguez, J., & Ghosez, P. (23 November 2017). On the origin of the metal-insulator transition in rare-earth nickelates [Paper presentation]. Seminar at PSI, Zurich, Switzerland. |
Ghosez, P. (06 November 2017). Ferroelectrics and antiferroelectrics [Paper presentation]. Materials Science Colloquium, Darmstadt, Germany. |
Ghosez, P. (2017). Structurally triggered metal-insulator transition in rare-earth nickelates [Paper presentation]. Institutt Néel. Invited seminar, Grenoble, France. |
Djani, H., Garcia Castro, A. C., Bousquet, E., Picozzi, S., & Ghosez, P. (29 September 2017). Engineering large and reversible Rashba spin-splitting in layered W-based perovskite-type oxides [Poster presentation]. Psi-K CECAM research conference on Ab-initio spinorbitronics, Montesilvano Pescara, Italy. |
 | Koçak, A., Varignon, J., Lemal, S., Ghosez, P., & Lepetit, M.-B. (28 September 2017). Control of the orbital ordering in manganite superlattices and impact on properties. Physical Review. B, 96, 125155. doi:10.1103/PhysRevB.96.125155 Peer Reviewed verified by ORBi |
Ghosez, P. (27 September 2017). Structurally triggered metal-insulator transition in rare-earth nickelates [Paper presentation]. International workshop on Oxide Electronics - WOE24, Chicago, United States. |
Schmitt, M., Zhang, Y., & Ghosez, P. (08 September 2017). Controlling Jahn-Teller Distortions in Rare-Earth Manganite Perovskites by Electric Fields [Paper presentation]. International Meeting on Ferroelectricity IMF2017, San Antonio, United States. |
Amoroso, D., Cano, A., & Ghosez, P. (05 September 2017). First-principles study of (Ba,Ca)(Ti,Zr)O3 solid solutions [Paper presentation]. IMF-2017 : The 14th International Meeting on Ferroelectricity, San Antonio, United States. |
Ricci, F., Lemal, S., Verstraete, M., & Ghosez, P. (03 August 2017). About the electronic properties of Fe2VAl and related thermoelectric compounds [Poster presentation]. 36th International Conference on Thermoelectrics (ICT-36), Pasadena, United States. |
 | Lemal, S., Ricci, F., Verstraete, M., & Ghosez, P. (31 July 2017). Thermoelectric properties of heavily-doped Fe2YZ full-Heusler compounds [Poster presentation]. International Conference of Thermoelectrics 2017. |
Ghosez, P. (13 July 2017). Structurally triggered metal-insulator transition in rare-earth nickelates [Paper presentation]. Department of Quantum Matter Physics. Invited seminar, Genève, Switzerland. |
Ghosez, P. (2017). Structurally triggered metal-insulator transition in rare-earth nickelates [Paper presentation]. Department of Materials Theory. Invited seminar, Zurich, Switzerland. |
Ricci, F., Lemal, S., Verstraete, M., & Ghosez, P. (06 July 2017). About the electronic properties of Fe2VAl and related thermoelectric compounds [Paper presentation]. Thermoelectric Materials : From Theoretical Design to Industrial Application, Cork, Ireland. |
Ghosez, P. (May 2017). The MULTIBINIT software project [Paper presentation]. 8th ABINIT Developer Workshop, Fréjus, France. |
Martin, A., Bieder, J., & Ghosez, P. (May 2017). MULTIBINIT : how to scale up simulations from 2nd principles models [Paper presentation]. 8th ABINIT Developer Workshop, Fréjus, France. |
Bieder, J., & Ghosez, P. (May 2017). AGATE - Abinit Graphical Analysis Technical Engine [Paper presentation]. 8th ABINIT Developer Workshop, Fréjus, France. |
Schmitt, M., & Ghosez, P. (22 April 2017). First- and second principles studies of complex manganite perovskite oxides [Poster presentation]. ISOE 2017, Cargèse, France. |
Lemal, S., Bristowe, N., & Ghosez, P. (07 April 2017). The LaAlO3-SrTiO3 system : theoretical views [Paper presentation]. 2017 Workshop on Transition Metal Oxide Physics, Siracuse, Italy. |
Amoroso, D., Cano, A., & Ghosez, P. (April 2017). First-principles study of (Ba,Ca)(Ti,Zr)O3 [Poster presentation]. International School of Oxide Electronics (ISOE) 2017, Cargese, France. |
Ghosez, P. (April 2017). Lattice distortions and functional properties in perovskites [Paper presentation]. ISOE, Cargèse, France. |
Prellier, W., Copie, O., Varignon, J., Rotella, H., Steciuk, G., Boullay, P., Pautrat, A., David, A., Mercey, B., & Ghosez, P. (March 2017). Chemical strain engineering of magnetism in PrVO3 thin films [Paper presentation]. 2017 March Meeting of the American Physical Society, New Orleans, United States. |
Ghosez, P. (March 2017). Polarization activated Jahn-Teller distortions in perovskites and vice versa [Paper presentation]. 2017 March Meeting of the American Physical Society, New Orleans, United States. |
Amoroso, D., Cano, A., & Ghosez, P. (March 2017). First-principles study of (Ba,Ca)(Ti,Zr)O3 solid solutions [Poster presentation]. IDS/EJD-FunMat Training School and General Meeting, Aveiro, Portugal. |
Gariglio, S., Li, D., Wu, Z., Liu, W., Fete, A., Boselli, M., Lemal, S., Bristowe, N., Ghosez, P., Gabay, M., & Triscone, J.-M. (March 2017). Quantum confinement at polar oxide interface [Paper presentation]. 2017 March Meeting of the American Physical Society, New Orleans, United States. |
Amoroso, D., Cano, A., & Ghosez, P. (21 February 2017). First-principles study of (Ba,Ca)(Ti,Zr)O3 solid solutions [Paper presentation]. Piezo 2017 : Electroceramics for End Users IX, Cercedilla, Spain. |
 | Lemal, S., Varignon, J., Bilc, D., & Ghosez, P. (09 February 2017). Thermoelectric properties of layered calcium cobaltite Ca3Co4O9 from hybrid functional first-principles calculations. Physical Review. B, 95, 075205. doi:10.1103/PhysRevB.95.075205 Peer Reviewed verified by ORBi |
Schmitt, M., & Ghosez, P. (03 February 2017). First- and second principles studies of complex manganite perovskite oxides [Poster presentation]. ABINIT school 2014, Bruyères-le-Châtel, France. |
 | Lin, L., Miao, N., Huang, J., Zhang, S., Zhu, Y., Horsell, D. D., Ghosez, P., Sun, Z., & Allwood, D. A. (2017). A photocatalyst of sulphur depleted monolayered molybdenum sulfide nanocrystals for dye degradation and hydrogen evolution reaction. Nano Energy, 38, 544. doi:10.1016/j.nanoen.2017.06.008 Peer Reviewed verified by ORBi |
 | Mercy, A., Bieder, J., Iniguez, J., & Ghosez, P. (2017). Structurally triggered metal-insulator transition in rare-earth nickelates. Nature Communications, 8, 1677. doi:10.1038/s41467-017-01811-x Peer Reviewed verified by ORBi |
Amoroso, D., Cano, A., & Ghosez, P. (2017). First-principles study of (Ba,Ca)(Ti,Zr)O3 [Poster presentation]. ABINIT school, Bruyères les Chatel, France. |
 | Copie, O., Varignon, J., Rotella, H., Steciuk, G., Boullay, P., Pautrat, A., David, A., Mercey, B., Ghosez, P., & Prellier, W. (2017). Chemical Strain Engineering of Magnetism in Oxide Thin Films. Advanced Materials, 1604112. doi:10.1002/adma.201604112 Peer Reviewed verified by ORBi |
 | Peelaers, H., Durgun, E., Partoens, B., Bilc, D., Ghosez, P., Van de Walle, C., & Peeters, F. (2017). Ab initio study of hydrogenic effective mass impurities in Si nanowires. Journal of Physics: Condensed Matter, 29, 095303. doi:10.1088/1361-648X/aa5768 Peer Reviewed verified by ORBi |
 | Hamdi, H., Salje, E. K. H., Ghosez, P., & Bousquet, E. (December 2016). First-principles reinvestigation of bulk WO3. Physical Review. B, 94, 245124. doi:10.1103/PhysRevB.94.245124 Peer Reviewed verified by ORBi |
Ghosez, P. (2016). Le HPC au service de la science des matériaux [Paper presentation]. CENAERO. Invited seminar, Gosselies, Belgium. |
Ghosez, P. (October 2016). The 2DEG at the LAO/STO interface : Liège's theory versus Geneva's experiment [Paper presentation]. WAHP 2016, Paris, France. |
Amoroso, D., Cano, A., & Ghosez, P. (22 September 2016). First-principles study of (Ba,Ca)(Ti,Zr)O3 lead-free piezoelectrics [Paper presentation]. Fall Meeting of the E-MRS, Varsovie, Poland. |
Ghosez, P. (September 2016). Interplay between lattice, spin, orbital and charge orders in bulk and layered perovskites : insights from theory [Paper presentation]. E-MRS Fall Meeting 2016, Varsovie, Poland. |
Ghosez, P. (September 2016). Interplay between lattice, spin, orbital and charge orders in bulk and layered perovskites : insights from theory [Paper presentation]. CMD26 European Physical Society, Gröningen, Netherlands. |
Mercy, A., Bieder, J., Iniguez, J., & Ghosez, P. (September 2016). Metal-Insulator transition in rare-earth nickelates : the case of YNiO3 [Paper presentation]. E-MRS Fall Meeting 2016, Varsovie, Poland. |
Ghosez, P. (August 2016). The "trilinear coupling" of lattice modes : a promising pathway to achieve multiferroism and enhanced magneto-electric properties [Paper presentation]. 2016 Multiferroic and Magnetoelectric Materials, Gordon Research Conference, Lewiston, United States. |
Ghosez, P. (August 2016). Electric-field control of cooperative Jahn-Teller distortions in bulk and layered perovskite compounds [Paper presentation]. XXIII International Symposium on the Jahn-Teller effect, Tartu, Estonia. |
Bilc, D., Hautier, G., Waroquiers, D., Rignanese, G.-M., & Ghosez, P. (13 May 2016). Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states [Paper presentation]. Modern Science and Energy (SME), Cluj Napoca, Romania. |
 | Lemal, S., Ghosez, P., & Bilc, D. (Other coll.). (02 May 2016). First principles study of heavily doped full Heusler Fe2YZ for high thermoelectric power factor [Poster presentation]. E-MRS Spring Meeting 2016, Lille, France. |
Ghosez, P. (May 2016). Novel improper ferroelectrics for electrical control of electronic and magnetic properties [Paper presentation]. Energy Materials Nanotechnology, Dubrovnik, Croatia. |
Ghosez, P. (April 2016). The "trilinear coupling" of lattice modes : a promising pathway to achieve electric control of electronic properties in perovskites [Paper presentation]. 2016 Workshop on Oxide Interface Physic, San Remo, Italy. |
 | Sando, D., Yang, Y., Bousquet, E., Carrétéro, C., Garcia, V., Fusil, S., Dolfi, D., Barthélémy, A., Ghosez, P., Bellaiche, L., & Bibes, M. (29 February 2016). Large elasto-optic effect and reversible electrochromism in multiferroic BiFeO3. Nature Communications, 7, 10718. doi:10.1038/ncomms10718 Peer Reviewed verified by ORBi |
Karandeep, Varignon, J., Bousquet, E., & Ghosez, P. (03 February 2016). Exploring the properties of [100]-, [110]- and [111]-oriented vanadate superlattices from first principles [Poster presentation]. Fundamental Physics of Ferroelectrics, Washington D.C., United States. |
Ghosez, P. (2016). First- and Second-principles simulations of Materials Properties [Paper presentation]. Solvay. Invited seminar, Bruxelles, Belgium. |
Bristowe, N., Fontaine, D., Varignon, J., Bousquet, E., & Ghosez, P. (January 2016). Coupling and Electrical Control of Structural, Orbital and Magnetic Orders in Perovskites [Paper presentation]. FERRO 2016, Washington D.C., United States. |
 | Lin, L., Miao, N., Wen, Y., Zhang, S., Ghosez, P., Sun, Z., & Allwood, D. (2016). Sulfur-Depleted Monolayered Molybdenum Disulfide Nanocrystals for Superelectrochemical Hydrogen Evolution Reaction. ACS Nano, 10, 8929. doi:10.1021/acsnano.6b04904 Peer Reviewed verified by ORBi |
 | Varignon, J., Bristowe, N., & Ghosez, P. (2016). Electric Field Control of Jahn-Teller Distortions in Bulk Perovskites. Physical Review Letters, 116, 057602. doi:10.1103/PhysRevLett.116.057602 Peer Reviewed verified by ORBi |
 | Bilc, D., Floare, C., Zârbo, L., Garabagiu, S., Lemal, S., & Ghosez, P. (2016). First-Principles Modeling of SrTiO3 Based Oxides for Thermoelectric Applications. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 120, 25678. doi:10.1021/acs.jpcc.6b07634 Peer Reviewed verified by ORBi |
 | Miao, N., Xu, B., Bristowe, N., Bilc, D., Verstraete, M., & Ghosez, P. (2016). First-Principles Study of the Thermoelectric Properties of SrRuO3. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 120, 9112. doi:10.1021/acs.jpcc.6b02514 Peer Reviewed verified by ORBi |
 | Paruch, P., & Ghosez, P. (2016). Predictions of Pinning. Nature, 534, 331. doi:10.1038/534331a Peer Reviewed verified by ORBi |
Ghosez, P. (21 December 2015). The "trilinear coupling" of lattice modes : a promising pathway to achieve electric control of electronic properties [Paper presentation]. The Thomas Young Center. Invited seminar, London, United Kingdom. |
Ghosez, P. (19 November 2015). The "trilinear coupling" of lattice modes : a promising pathway to achieve electric control of electronic properties [Paper presentation]. Electronic Properties of Modern Materials, United Kingdom. |
 | Lemal, S., Ngoc, N., de Boor, J., Ghosez, P., Varignon, J., Klobes, B., Hermann, R., & Verstraete, M. (16 November 2015). Thermoelectric properties of the unfilled skutterudite FeSb3 from first principles and Seebeck local probes. Physical Review. B, 92, 205204. doi:10.1103/PhysRevB.92.205204 Peer Reviewed verified by ORBi |
 | Varignon, J., Bristowe, N., Bousquet, E., & Ghosez, P. (20 October 2015). Coupling and electrical control of structural, orbital and magnetic orders in perovskites. Scientific Reports, 5, 15364. doi:10.1038/srep15364 Peer Reviewed verified by ORBi |
Ghosez, P. (19 October 2015). The "trilinear coupling" of lattice modes : a promising pathway to achieve electric control of electronic properties [Paper presentation]. Departamento de Ciencias de la Tierra y Fisica de la Materia Condensada. Invited seminar, Cantabrie, Spain. |
Sando, D., Yang, Y., Garcia, V., Fusil, E., Bousquet, E., Carrétéro, R., Ghosez, P., Barthelemy, A., & Bibes, M. (October 2015). Chromic phenomena in multiferroic BiFeO3 thin films [Poster presentation]. Workshop on Oxide Electronics (WOE-22), Paris, France. |
Mercy, A., Bieder, J., & Ghosez, P. (October 2015). First-principles study of Hybrid improper ferroelectricity in rare-earth nickelates [Poster presentation]. ISOE 2015, Cargèse, France. |
Copie, O., Varignon, J., Rotella, H., Boullay, P., Morales, M., Pautra, A., David, A., Mercey, B., Infante, I., Janolin, P. E., Ghosez, P., & Prellier, W. (October 2015). Orbital and spin controls by chemical strain in epitaxial oxide heterostructures [Poster presentation]. Workshop on Oxide Electronics (WOE-22), Paris, France. |
Varignon, J., Bristowe, N., & Ghosez, P. (October 2015). Electric field control of Jahn-Teller distortions in strained bulk ABO3 perovskites [Poster presentation]. Workshop on Oxide Electronics (WOE-22), Paris, France. |
Varignon, J., Bristowe, N., Bousquet, E., & Ghosez, P. (October 2015). Coupling and electric control of lattice, orbital and magnetic degrees of freedom in vanadates [Paper presentation]. Workshop on Oxide Electronics (WOE-22), Paris, France. |
Hamdi, H., Ghosez, P., & Bousquet, E. (October 2015). First-principles re-investigation of bulk WO3 [Poster presentation]. Workshop on Oxide Electronics (WOE-22), Paris, France. |
Bilc, D., Hautier, G., Waroquiers, D., Rignanese, G.-M., & Ghosez, P. (25 September 2015). Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states [Paper presentation]. Processes in Isotopes and Molecules (PIM), Cluj Napoca, Romania. |
Mercy, A., Varignon, J., Bousquet, E., & Ghosez, P. (18 September 2015). First-principles study of improper ferroelectricity in rare-earth nickelates [Paper presentation]. E-MRS Fall Meeting 2015, Varsovie, Poland. |
Bilc, D., Hautier, G., Waroquiers, D., Rignanese, G.-M., & Ghosez, P. (18 September 2015). Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states [Paper presentation]. E-MRS Fall Meeting 2015, Varsovie, Poland. |
Bieder, J., Miao, N., Bristowe, N., Escorihuela Sayalero, C., Iniguez, J., & Ghosez, P. (10 September 2015). Second-principles atomic potentials for finite temperature simulations : application to SrRuO3 electrode material [Paper presentation]. Psi-k 2015 Conference, San Sebastian, Spain. |
Aguado Puente, P., Bristowe, N., Yin, B., Shirasawa, R., Ghosez, P., Littlewood, P., & Artacho, E. (10 September 2015). Theoretical investigation of two-dimensional electron gas formation at ferroelectric interfaces [Poster presentation]. Psi-k 2015 Conference, San Sebastian, Spain. |
Bristowe, N., Varignon, J., Fontaine, D., Bousquet, E., & Ghosez, P. (10 September 2015). First-principles study of improper ferroelectric (anti)ferromagnets [Poster presentation]. Psi-k 2015 Conference, San Sebastian, Spain. |
Bristowe, N., Fontaine, D., Varignon, J., Bousquet, E., & Ghosez, P. (September 2015). First principles design of improper ferroelectricity in (anti)ferromagnets [Paper presentation]. Synchrotron Radiation User Meeting, United Kingdom. |
Ghosez, P. (20 August 2015). The "trilinear coupling" of lattice modes : a promising pathway to achieve electric control of electronic properties [Paper presentation]. Department of Quantum Matter Physics. Invited seminar, Genève, Switzerland. |
Varignon, J., Bristowe, N., & Ghosez, P. (03 July 2015). Induced ferroelectricity and electric field control of Jahn-Teller distortion in strained bulk ABO3 perovskites [Paper presentation]. 13th European Meeting on Ferroelectricity, Porto, Portugal. |
Mercy, A., Varignon, J., Bousquet, E., & Ghosez, P. (03 July 2015). First-principles study of improper ferroelectricity in rare-earth nickelates [Paper presentation]. 13th European Meeting on Ferroelectricity, Porto, Portugal. |
Bieder, J., Miao, N., Bristowe, N., Escorihuela Sayalero, C., Iniguez, J., & Ghosez, P. (03 July 2015). Second-principles atomic potentials for finite temperature simulations : application to SrRuO3 electrode material [Poster presentation]. 13th European Meeting on Ferroelectricity, Porto, Portugal. |
Djani-Ait, H., Varignon, J., & Ghosez, P. (03 July 2015). Antiferroelectricity in Bi2W2O9 Aurivillius Phase : a first-principle study [Poster presentation]. 13th European Meeting on Ferroelectricity, Porto, Portugal. |
Hamdi, H., Ghosez, P., & Bousquet, E. (03 July 2015). First-principles re-investigation of bulk WO3 [Poster presentation]. 13th European Meeting on Ferroelectricity, Porto, Portugal. |
Bristowe, N., Varignon, J., Fontaine, D., Bousquet, E., & Ghosez, P. (03 July 2015). Ferromagnetism induced by entangled charge and orbital orderings in ferroelectric titanate perovskites [Paper presentation]. 13th European Meeting on Ferroelectricity, Porto, Portugal. |
Varignon, J., Bristowe, N., Bousquet, E., & Ghosez, P. (03 July 2015). Jahn-Teller induced ferroelectricity in vanadate perovskite superlattices [Poster presentation]. 13th European Meeting on Ferroelectricity, Porto, Portugal. |
Aguado Puente, P., Bristowe, N., Yin, B., Shirasawa, R., Littlewood, P., Ghosez, P., & Artacho, E. (03 July 2015). Modelling of 2-dimensional electron gases at ferroelectric interfaces [Paper presentation]. 13th European Meeting on Ferroelectricity, Porto, Portugal. |
Ghosez, P. (03 July 2015). The "trilinear coupling" of lattice modes : a promising pathway to achieve electric control of electronic properties [Paper presentation]. 13th European Meeting on Ferroelectricity, Porto, Portugal. |
Bilc, D., Hautier, G., Waroquiers, D., Rignanese, G.-M., & Ghosez, P. (02 July 2015). Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states [Paper presentation]. International Conference on Thermoelectrics (ICT), Dresden, Germany. |
Bristowe, N., Fontaine, D., Varignon, J., Bousquet, E., & Ghosez, P. (July 2015). Ferromagnetism and ferroelectricity in titanate superlattices [Paper presentation]. Energy Materials Nanotechnology, Istanbul, Turkey. |
 | Miao, N., & Ghosez, P. (June 2015). Optimization of Thermoelectric Properties of MgAgSb-Based Materials: A First-Principles Investigation. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 119, 14017. doi:10.1021/acs.jpcc.5b02904 Peer Reviewed verified by ORBi |
Bristowe, N., Fontaine, D., Varignon, J., Bousquet, E., & Ghosez, P. (15 May 2015). Ferromagnetism induced by intricate charge and orbital orderings in ferroelectric titanate perovskites superlattices [Paper presentation]. E-MRS Spring meeting, Lille, France. |
Varignon, J., Bristowe, N., Bousquet, E., & Ghosez, P. (15 May 2015). Coupling and Electrical Control of Lattice, Orbital and Magnetic Orders in Vanadates superlattices [Paper presentation]. E-MRS Spring meeting, Lille, France. |
Hamdi, H., Ghosez, P., & Bousquet, E. (15 May 2015). First-principles re-investigation of bulk WO3 [Paper presentation]. E-MRS Spring meeting, Lille, France. |
Ghosez, P., Bristowe, N., Varignon, J., Fontaine, D., & Bousquet, E. (March 2015). Interplay between lattice, spin, orbital and charge orders in bulk and layered ABO3 perovskites [Paper presentation]. TO-BE Spring Meeting, Aveiro, Portugal. |
 | Aguado-Puente, P., Bristowe, N., Yin, B., Shirasawa, R., Ghosez, P., Littlewood, P., & Artacho. (2015). Model of two-dimensional electron gas formation at ferroelectric interfaces. Physical Review. B, 92, 035438. doi:10.1103/PhysRevB.92.035438 Peer Reviewed verified by ORBi |
 | Varignon, J., Bristowe, N., Bousquet, E., & Ghosez, P. (2015). Novel magneto-electric multiferroics from first-principles calculations. Comptes Rendus Physique, 16, 153. doi:10.1016/j.crhy.2015.01.011 Peer Reviewed verified by ORBi |
 | Bilc, D., Hautier, G., Waroquiers, D., Rignanese, G.-M., & Ghosez, P. (2015). Low-Dimensional Transport and Large Thermoelectric Power Factors in Bulk Semiconductors by Band Engineering of Highly Directional Electronic States. Physical Review Letters, 114. doi:10.1103/PhysRevLett.114.136601 Peer Reviewed verified by ORBi |
 | Bristowe, N., Varignon, J., Fontaine, D., Bousquet, E., & Ghosez, P. (2015). Ferromagnetism induced by entangled charge and orbital orderings in ferroelectric titanate perovskites. Nature Communications, 6, 6677. doi:10.1038/ncomms7677 Peer Reviewed verified by ORBi |
 | Benedek, N., Rondinelli, J., Djani-Ait, H., Ghosez, P., & Lightfoot, P. (2015). Understanding ferroelectricity in layered perovskites: new ideas and insights from theory and experiments. Dalton Transactions, 44 (23), 10527-10890. doi:10.1039/c5dt00010f Peer reviewed |
Kocak, A. B., Lepetit, M.-B., Ghosez, P., & Varignon, J. (January 2015). First-principle Study of Oxides Superlattices [Poster presentation]. ICTP International Workshop on Computational Physics and Materials Science Total Energy and Force Methods, Trieste, Italy. |
Miao, N., & Ghosez, P. (05 December 2014). First-principles study of MgAgSb-based thermoelectric materials [Paper presentation]. 2014 MRS Fall Meeting & Exhibit, Boston, United States. |
Varignon, J., Bristowe, N., Bousquet, E., & Ghosez, P. (03 December 2014). Coupling and Electrical Control of Structural, Orbital and Magnetic Orders in Perovskites [Poster presentation]. MRS fall meeting, Boston, United States. |
 | Lemal, S., Varignon, J., Bilc, D., & Ghosez, P. (03 December 2014). First principles study of the structural, electronic and thermoelectric properties of misfit cobaltite [Poster presentation]. MRS Fall meeting 2014, Boston, United States - Massachusetts. |
Ghosez, P., Bristowe, N., Varignon, J., Fontaine, D., & Bousquet, E. (December 2014). Ferromagnetism induced by intricate charge and orbital orderings in ferroelectric titanate perovskites [Paper presentation]. MRS fall meeting, Boston, United States. |
Bilc, D., Hautier, G., Waroquiers, D., Rignanese, G.-M., & Ghosez, P. (December 2014). Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states [Paper presentation]. MRS fall meeting, Boston, United States. |
Ghosez, P. (17 October 2014). Interplay between lattice, spin, orbital and charge orders in bulk and layered ABO3 perovskites [Paper presentation]. Annual DPMC Meeting, Baveno, Italy. |
Bilc, D., Morari, C., Floare, C., & Ghosez, P. (23 September 2014). Impressive thermoelectric power factors in SrTiO3 based nanostructures by band engineering of highly-directional electronic states [Poster presentation]. Towards Oxide Based Electronics (TO BE) conference of COST MP1308 Action, Rome, Italy. |
Ghosez, P. (19 September 2014). Interplay between lattice, spin, orbital and charge orders in bulk and layered ABO3 perovskites [Paper presentation]. Fall Meeting of the E-MRS, Varsovie, Poland. |
Miao, N., Bristowe, N., Xu, B., Verstraete, M., & Ghosez, P. (19 September 2014). First-principles Study on the Lattice Dynamics and Thermoelectric Properties of SrRuO3 [Paper presentation]. E-MRS Fall Meeting 2014, Varsovie, Poland. |
Varignon, J., Bristowe, N., Bousquet, E., & Ghosez, P. (19 September 2014). Coupling and Electrical Control of Structural, Orbital and Magnetic Orders in Perovskites [Paper presentation]. E-MRS Fall Meeting 2014, Varsovie, Poland. |
Ghosez, P. (18 September 2014). Interplay between lattice, spin, orbital and charge orders in bulk and layered ABO3 perovskites [Paper presentation]. International Symposium Electrical Fatigue in Functional Materials (SFB 595), Rügen, Germany. |
Hamdi, H., Ghosez, P., & Bousquet, E. (18 September 2014). First-principles re-investigation of bulk WO3 [Poster presentation]. EMRS 2014 Fall Meeting, Varsovie, Poland. |
Bristowe, N., Fontaine, D., Varignon, J., Bousquet, E., & Ghosez, P. (September 2014). Ferromagnetism induced by entangled charge and orbital orderings in ferroelectric titanate perovskites [Poster presentation]. Ab initio Modelling in Solid State Chemistry, Londres, United Kingdom. |
Ghosez, P. (June 2014). Interplay between lattice, spin, orbital and charge orders in bulk and layered ABO3 perovskites [Paper presentation]. Nanoselect Conference, Sant Feliu De Guixols, Spain. |
Ghosez, P. (16 May 2014). Interatomic force constants and phonon dispersion curves [Paper presentation]. Dynamical, dielectric and magnetic properties of solids with ABINIT-CECAM Tutorial, Lyon, France. |
Ghosez, P. (2014). Interplay between lattice, spin, orbital and charge orders in bulk and layered ABO3 perovskites [Paper presentation]. Institutt Néel. Invited seminar, Grenoble, France. |
Zanolli, Z., Wojdel, J., Iniguez, J., & Ghosez, P. (04 April 2014). BiFeO3/LaFeO3 : a magnetoelectric multiferroic [Paper presentation]. DPG Spring Meeting, Dresden, Germany. |
Kocak, A. B., Lepetit, M.-B., Ghosez, P., & Varignon, J. (March 2014). First Principle Study of Oxide Superlattices [Poster presentation]. International Doctoral School of Functional Materials Training School, Spa, Belgium. |
Ghosez, P. (2014). Materials modelling : what are our needs ? [Paper presentation]. European Commission, Covent Garden. Invited seminar, Bruxelles, Belgium. |
Bristowe, N., Fontaine, D., Varignon, J., Bousquet, E., & Ghosez, P. (29 January 2014). Designing enhanced polarization and ferromagnetism in hybrid-improper ferroelectric superlattices from first principles [Poster presentation]. 25th Annual Fundamentals of Ferroelectrics and Related Materials Workshop, Washington, United States. |
Varignon, J., Bristowe, N., Bousquet, E., & Ghosez, P. (29 January 2014). Coupling and Electrical Control of Structural, Orbital and Magnetic Orders in Vanadates [Paper presentation]. The 25th Workshop of Fundamental Physics of Ferroelectrics and Related Materials, Washington D.C., United States. |
Zhao, J., Hu, X., Villesuzanne, A., & Ghosez, P. (29 January 2014). Lattice dynamical property and interatomic force constants of perovskite oxide superlattices of increasing layer thicknesses [Poster presentation]. 25th Annual Fundamentals of Ferroelectrics and Related Materials Workshop, Washington, United States. |
Zhao, J., Bristowe, N., Cano, A., Villesuzanne, A., & Ghosez, P. (29 January 2014). Landau model of hybrid improper ferroelecricity in PbTiO3/SrTiO3 superlattices [Paper presentation]. The 25th Workshop of Fundamental Physics of Ferroelectrics and Related Materials, Washington D.C., United States. |
 | Cancellieri, C., Reinle-Schmitt, M. L., Kobayashi, M., Strocov, V. N., Willmott, P. R., Fontaine, D., Ghosez, P., Filippetti, A., Delugas, P., & Fiorentini, V. (2014). Doping-dependent band structure of LaAlO3/SrTiO3 interfaces by soft x-ray polarization-controlled resonant angle-resolved photoemission. Physical Review. B, Condensed Matter and Materials Physics, 89, 121412. doi:10.1103/PhysRevB.89.121412 Peer Reviewed verified by ORBi |
 | Sando, D., Hermet, P., Allibe, J., Bourderionnet, J., Fusil, S., Carrétéro, C., Jacquet, E., Mage, J.-C., Dolfi, D., Barthélémy, A., Ghosez, P., & Bibes, M. (2014). Linear electro-optic effect in multiferroic BiFeO3 thin films. Physical Review. B, Condensed Matter and Materials Physics, 89, 195106. doi:10.1103/PhysRevB.89.195106 Peer Reviewed verified by ORBi |
 | Bristowe, N., Ghosez, P., Littlewood, P. B., & Artacho, E. (2014). The origin of two-dimensional electron gases at oxide interfaces: insights from theory. Journal of Physics: Condensed Matter, 26, 143201. doi:10.1088/0953-8984/26/14/143201 Peer Reviewed verified by ORBi |
 | Nie, Y. F., Zhu, Y., Lee, C.-H., Kourkoutis, L. F., Mundy, J. A., Junquera, J., Ghosez, P., Baek, D. J., Sung, S., Xi, X. X., Shen, K. M., Muller, D. A., & Schlom, D. G. (2014). Atomically precise interfaces from non-stoichiometric deposition. Nature Communications, 5, 4530. doi:10.1038/ncomms5530 Peer Reviewed verified by ORBi |
 | Ghosez, P., & Triscone, J.-M. (2014). Reactive Walls. Nature, 515, 348-350. doi:10.1038/515348a Peer Reviewed verified by ORBi |
 | Rispens, G., Ziegler, B., Zanolli, Z., Iniguez, J., Ghosez, P., & Paruch, P. (2014). Phase diagram of BiFeO3/LaFeO3 superlattices studied by x-ray diffraction experiments and first-principles calculations. Physical Review. B, Condensed Matter and Materials Physics, 90, 104106. doi:10.1103/PhysRevB.90.139905 Peer Reviewed verified by ORBi |
 | Sharma, H., Kreisel, J., & Ghosez, P. (2014). First-principles study of PbTiO3 under uniaxial strains and stresses. Physical Review. B, 90, 214102. doi:10.1103/PhysRevB.90.214102 Peer Reviewed verified by ORBi |
 | Miao, N., Bristowe, N., Xu, B., Verstraete, M., & Ghosez, P. (2014). First-principles study of the lattice dynamical properties of strontium ruthenate. Journal of Physics: Condensed Matter, 26, 035401. doi:10.1088/0953-8984/26/3/035401 Peer Reviewed verified by ORBi |
 | Djani-Ait, H., Hermet, P., & Ghosez, P. (2014). First-principles characterization of the P21ab ferroelectric phase of Aurivillius Bi2WO6. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 118, 13514. doi:10.1021/jp504674k Peer Reviewed verified by ORBi |
Ghosez, P. (2013). Phénomènes exotiques dans les nanostructures d'oxydes : de la théorie aux applications [Paper presentation]. Société Royale des Sciences de Liège. Invited seminar, Liège, Belgium. |
Ghosez, P. (18 November 2013). Hybrid improper ferroelectrics [Paper presentation]. DPMC Meeting. Invited seminar, Genève, Switzerland. |
Bilc, D., & Ghosez, P. (09 November 2013). First-principles accurate prediction of the electronic and structural properties of ferroelectric oxide bulks and nanostructures [Paper presentation]. Workshop for Early Stage Researchers of the COST MP0904 Action and Conference for Young Scientists in Ceramics, Novi Sad, Serbia. |
Zanolli, Z., Wojdel, C., Iniguez, J., & Ghosez, P. (04 October 2013). Electric control of the Magnetization in BiFeO3/LaFeO3 superlattices [Paper presentation]. 18th ETSF Workshop on Electronic Excitations. Applications to functional and energy materials, Luxembourg, Luxembourg. |
Hamdi, H., Ghosez, P., & Bousquet, E. (14 September 2013). First-principles re-investigation of bulk WO3 [Poster presentation]. International School of Oxide Electronics (ISOE 2013), Cargèse, France. |
Bilc, D., Morari, C., Floare, C., & Ghosez, P. (04 July 2013). Band structure engineering of thermoelectric SrTiO3 based oxides with large power factors [Poster presentation]. International Conference on Thermoelectrics (ICT), Kobe, Japan. |
Zanolli, Z., Wojdel, J., Iniguez, J., & Ghosez, P. (14 June 2013). Electric control of the magnetization in ABO3/A'BO3 superlattices [Poster presentation]. Novel 2D materials : Tuning electronic properties on the atomic scale, Bremen, Germany. |
Varignon, J., & Ghosez, P. (01 June 2013). Improper ferroelectricity and multiferroism in 2H-BaMnO3 [Paper presentation]. Superstripes conference, Ischia, Italy. |
Ghosez, P. (22 May 2013). Coupling of lattice modes in oxide superlattices : a promising new pathway to achieve electric control of the magnetization [Paper presentation]. Annhual meeting of the Belgian Physical Society, Louvain-la-Neuve, Belgium. |
Bristowe, N., Zhao, J., Wojdel, J., Iniguez, J., & Ghosez, P. (19 April 2013). A finite temperature study of SrTiO3-PbTiO3 superlattices using first principles based model potentials [Poster presentation]. 6th International ABINIT Developer Workshop, Dinard, France. |
Sharma, H., Kreisel, J., & Ghosez, P. (22 March 2013). Uniaxial strain and stress engineering of PbTiO3 [Poster presentation]. IDS-FunMat Third Training School, Annecy, France. |
Ghosez, P. (22 March 2013). Proper, improper and hybrid improper ferroelectricities in oxide perovskites and related compouds [Paper presentation]. 2013 March Meeting of the American Physical Society, Baltimore, United States. |
Varignon, J., & Ghosez, P. (30 January 2013). Improper ferroelectricity and multiferroism in 2H-BaMnO3 [Poster presentation]. Fundamental Physics of ferroelectrics and related materials, Aimes, United States. |
Zhao, J., Villesuzanne, A., & Ghosez, P. (30 January 2013). Lattice dynamical properties and interatomic force constants of natural and artificial ABO3/AO superlattices [Poster presentation]. Fundamental Physics of ferroelectrics and related materials, Aimes, United States. |
Bristowe, N., Zhao, J., Ghosez, P., Wojdel, J., & Iniguez, J. (30 January 2013). First principles based model potentials for the finite temperature study of SrTiO3-PbTiO3 superlattices [Paper presentation]. Advances in the Fundamental Physics of Ferroelectrics and Related Materials, Aimes, United States. |
Bristowe, N., Zhao, J., Wojdel, J., Iniguez, J., & Ghosez, P. (30 January 2013). First principles model potentials of SrTiO3-PbTiO3 superlattices at finite temperature [Paper presentation]. 24th Fundamentals of Ferroelectrics and Related Materials Workshop, Aimes, United States. |
Miao, N., Xu, B., Verstraete, M., & Ghosez, P. (30 January 2013). Electronic and phonon dispersion curves of incipient ferroelectric KTaO3 including spin-orbit coupling [Poster presentation]. Fundamental Physics of ferroelectrics and related materials, Aimes, United States. |
Sharma, H., Kreisel, J., & Ghosez, P. (30 January 2013). Uniaxial strain and stress engineering of PbTiO3 [Poster presentation]. Fundamental Physics of Ferroelectrics and Related Materials, Aimes, United States. |
Miao, N., Xu, B., Bristowe, N., Verstraete, M., & Ghosez, P. (30 January 2013). First-principles study of the structural and dynamical properties of SrRuO3 [Poster presentation]. Fundamental Physics of ferroelectrics and related materials, Aimes, United States. |
Bristowe, N., Zhao, J., Ghosez, P., Wojdel, J., & Iniguez, J. (12 January 2013). The study of displacive phase transitions in SrTiO3-PbTiO3 oxide superlattices using first principles all-atom effective Hamiltonians [Poster presentation]. XVI International Workshop on Computational Physics and Materials Science : total energy and force methods (Total Energy XVI), Trieste, Italy. |
Ghosez, P. (12 January 2013). Proper, improper, hybrid improper and anti ferroelectricity in oxide perovskites and related compounds [Paper presentation]. Leverhulme Workshop on Nanoferroelectrics, Majorque, Spain. |
Miao, N., Xu, B., Bristowe, N., Verstraete, M., & Ghosez, P. (12 January 2013). First-principles study of the structural and dynamical properties of SrRuO3 [Poster presentation]. XVI International Workshop on Computational Physics and Materials Science : total energy and force methods (Total Energy XVI), Trieste, Italy. |
 | Borissenko, E., Goffinet, M., Bosak, A., Rovillain, P., Cazayous, M., Colson, D., Ghosez, P., & Krisch, M. (2013). Lattice dynamics of multiferroic BiFeO3 studied by inelastic x-ray scattering. Journal of Physics: Condensed Matter, 25, 102201. doi:10.1088/0953-8984/25/10/102201 Peer Reviewed verified by ORBi |
 | Zanolli, Z., Wojdeł, J., Iniguez, J., & Ghosez, P. (2013). Electric control of the magnetization in BiFeO3/LaFeO3 superlattices. Physical Review. B, Condensed Matter and Materials Physics, 88. doi:10.1103/PhysRevB.88.060102 Peer Reviewed verified by ORBi |
 | Wojdeł, J., Hermet, P., Ljungberg, M., Ghosez, P., & Iniguez, J. (2013). First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides. Journal of Physics: Condensed Matter, 25, 305401. doi:10.1088/0953-8984/25/30/305401 Peer Reviewed verified by ORBi |
 | Varignon, J., & Ghosez, P. (2013). Improper ferroelectricity and multiferroism in 2H-BaMnO3. Physical Review. B, Condensed Matter and Materials Physics, 87, 140403. doi:10.1103/PhysRevB.87.140403 Peer Reviewed verified by ORBi |
Ghosez, P. (26 October 2012). Coupling of lattice modes in oxide superlattices : wedding of three ! [Paper presentation]. Response treatment for the dynamical properties of materials with the ABINIT package, CECAM School, Zürich, Switzerland. |
Ghosez, P. (14 September 2012). Coupling of lattice modes in oxide superlattices : wedding of three ! [Paper presentation]. TNT Conference, Madrid, Spain. |
Bilc, D., Novaes, F., Ordejon, P., Iniguez, J., & Ghosez, P. (31 August 2012). Tunneling across a ferroelectric barrier : a first-principles study [Paper presentation]. 7th International Conference on Advanced Materials, ROCAM, Brasov, Romania. |
 | Djani-Ait, H., Bousquet, E., Kellou, A., & Ghosez, P. (August 2012). First-principles study of the ferroelectric Aurivillius phase Bi2WO6. Physical Review. B, Condensed Matter and Materials Physics, 86, 054107. doi:10.1103/PhysRevB.86.054107 Peer Reviewed verified by ORBi |
 | Garcia-Fernandez, P., Verissimo-Alves, M., Bilc, D., Ghosez, P., & Junquera, J. (August 2012). First-principles modeling of the thermoelectric properties of SrTiO3/SrRuO3 superlattices. Physical Review. B, Condensed Matter and Materials Physics, 86, 085305. doi:10.1103/PhysRevB.86.08505 Peer Reviewed verified by ORBi |
Gariglio, S., Fête, A., Li, D., Stornaiuolo, D., Cancellieri, C., Caviglia, A. D., Reyren, N., Sacepe, B., Morpurgo, A. F., Gabay, M., Fontaine, D., Ghosez, P., Reinle Schmitt, M. L., Pauli, S. A., Willmott, P. R., Proust, C., Piot, B., & Triscone, J.-M. (27 July 2012). 2DEGs at oxide interfaces : experimental facts [Paper presentation]. 20th International Conference on "High Magnetic Fields in Semiconductor Physics", Chamonix Mont-Blanc, France. |
 | Reinle-Schmitt, M. L., Cancellieri, C., Li, D., Fontaine, D., Medarde, M., Pomjakushina, E., Schneider, C. W., Gariglio, S., Ghosez, P., Triscone, J.-M., & Willmott, P. R. (03 July 2012). Tunable conductivity threshold at polar oxide interfaces. Nature Communications, 3, 932. doi:10.1038/ncomms1936 Peer Reviewed verified by ORBi |
 | Goffinet, M., Iniguez, J., & Ghosez, P. (July 2012). First-principles study of a pressure-induced spin transition in multiferroic Bi2FeCrO6. Physical Review. B, Condensed Matter and Materials Physics, 86, 024415. doi:10.1103/PhysRevB.86.024415 Peer Reviewed verified by ORBi |
Reinle Schmitt, M. L., Cancellieri, C., Li, D., Fontaine, D., Medarde, M., Pomjakushina, E., Schneider, C. W., Gariglio, S., Ghosez, P., Triscone, J.-M., & Willmott, P. R. (20 June 2012). Tunable conductivity threshold at polar oxide interfaces [Paper presentation]. Nature Conference "Frontiers in Electronic Materials : Correlation Effects and Memristive Phenomena", Aachen, Germany. |
Zanolli, Z., Wojdel, J., Iniguez, J., & Ghosez, P. (20 June 2012). Electric controle of the Magnetization in BiFeO3/LaFeO3 Superlattices [Paper presentation]. Nature Conference "Frontiers in Electronic Materials : Correlation Effects and Memristive Phenomena", Aachen, Germany. |
Junquera, J., Garcia Fernandez, P., Verissimo Alves, M., Bilc, D., & Ghosez, P. (20 June 2012). Highly confined spin-polarized two-dimensional electron gas in SrTiO3/SrRuO3 superlattices [Paper presentation]. Nature Conference "Frontiers in Electronic Materials : Correlation Effects and Memristive Phenomena", Aachen, Germany. |
Burton, J. D., Yin, J., Li, X. G., Kim, Y.-M., Borisevich, A. Y., Li, Q., Tsymbal, E. Y., Pantel, D., Goetze, S., Alexe, M., Hesse, D., Geprägs, S., Opel, M., Goennenwein, S. T. B., Gross, R., Zanolli, Z., Wojdel, J. C., Iniguez, J., Ghosez, P., ... Grundmann, M. (2012). Nanosession: Multiferroic Thin Films and Heterostructures. In J. Heber, D. Schlom, Y. Tokura, ... M. Wuttig (Eds.), Frontiers in Electronic Materials. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA. doi:10.1002/9783527667703.ch52 Peer reviewed |
Ghosez, P. (10 May 2012). Coupling of lattice modes in oxide superlattices : wedding of three ! [Paper presentation]. Computational Oxide Spintronics, Cranage, United Kingdom. |
Zanolli, Z., Wojdel, J. C., Iniguez, J., & Ghosez, P. (May 2012). Electric control of the Magnetization in BiFeO3/LaFeO3 superlattices [Poster presentation]. Psi-K 2012 Conference, Cranage Hall, United Kingdom. |
Xu, B., Ghosez, P., & Verstraete, M. (May 2012). First-Principles Seebeck Calculation: Implementing a general formula for the calculation of the Seebeck coefficient from first-principles [Paper presentation]. Fourth International Oxide Workshop, Santander, Spain. |
Sharma, H., Kreisel, J., Bouvier, P., & Ghosez, P. (31 March 2012). Uniaxial strain engineering of ferroelectricity in oxides : Combined experimental and theoretical studies [Poster presentation]. IDS-FunMat Second Training School, Anglet, France. |
Ghosez, P. (March 2012). First-principles study of simple and layered perovskite compounds : understanding and exploiting the coupling between ferroelectric, antiferroelectric and antiferrodistortive lattice modes [Paper presentation]. Leverhulme Meeting on Nano Ferroelectrics, Boston, United Kingdom. |
Garcia Fernandez, P., Verissimo Alves, M., Bilc, D., Ghosez, P., & Junquera, J. (01 March 2012). Highly confined spin-polarized two-dimensional electron gas in SrTiO3/SrRuO3 superlattices [Paper presentation]. NanoSpain Conference, Santander, Spain. |
 | Amisi, S., Bousquet, E., Katcho, K., & Ghosez, P. (15 February 2012). First-principles study of structural and vibrational properties of SrZrO3. Physical Review. B, Condensed Matter and Materials Physics, 85, 064112. doi:10.1103/PhysRevB.85.064112 Peer Reviewed verified by ORBi |
Amisi, S., Bousquet, E., Katcho, K., & Ghosez, P. (01 February 2012). First-principles study of structural and vibrational properties of SrZrO3 [Poster presentation]. The 25th Workshop of Fundamental Physics of Ferroelectrics and Related Materials, Argonne, United States. |
Prikockyte, A., Dubourdieu, C., & Ghosez, P. (01 February 2012). Role of electrical and mechanical boundary conditions on the ferroelectric properties of YMnO3 epitaxial thin films [Poster presentation]. Workshop of Fundamental Physics of Ferroelectrics and Related Materials, Argonne, United States. |
Junquera, J., Garcia Fernandez, P., Verissimo Alves, M., Bilc, D., & Ghosez, P. (01 February 2012). Highly confined spin-polarized two-dimensional electron gas in SrTiO3/SrRuO3 superlattices [Paper presentation]. Advances in the Fundamental Physics of Ferroelectrics and Related Materials, Argonne, United States. |
Saha, S., & Ghosez, P. (01 February 2012). Structural, electronic and vibrational properties of chloride-based perovskites : a first-principles study [Poster presentation]. The 25th Workshop of Fundamental Physics of Ferroelectrics and Related Materials, Argonne, United States. |
Junquera, J., Garcia Fernandez, P., Verissimo Alvez, M., Bilc, D., & Ghosez, P. (14 January 2012). Highly confined spin-polarized two-dimensional electron gas in SrTiO3/SrRuO3 superlattices [Paper presentation]. Workshop Mini 2012 on Computational Condensed Matter Physics, Materials Science and Nanosciences from First-Principles, Barcelone, Spain. |
 | Lichtensteiger, C., Zubko, P., Stengel, M., Aguado-Puente, P., Triscone, J.-M., Ghosez, P., & Junquera, J. (2012). Ferroelectricity in ultrathin film capacitors. In Oxide Ultrathin Films: Science and Technology (pp. 265-308). Wiley-vch. doi:10.1002/9783527640171.ch11 Peer reviewed |
 | Durgun, E., Bilc, D., Ciraci, S., & Ghosez, P. (2012). Hydrogen-Saturated Silicon Nanowires Heavily Doped with Interstitial and Substitutional Transition Metals. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 116, 15713-15722. doi:10.1021/jp303142u Peer Reviewed verified by ORBi |
 | Günter, T., Bousquet, E., David, A., Boullay, P., Ghosez, P., Prellier, W., & Fiebig, M. (2012). Incipient ferroelectricity in 2.3% tensile-strained CaMnO3 films. Physical Review. B, Condensed Matter and Materials Physics, 85, 214120. doi:10.1103/PhysRevB.85.214120 Peer Reviewed verified by ORBi |
Wojdel, J., Hermet, P., Ljungberg, M. P., Ghosez, P., & Iniguez, J. (January 2012). All-atom ab initio models for perovskite ferroelectrics and lattice mode interactions in PbTiO3 [Paper presentation]. Fundamental Physics of Ferroelectrics and Related Materials, Argonne, United States. |
 | Bilc, D., Novaes, F. D., Iniguez, J., Ordejon, P., & Ghosez, P. (2012). Electroresistance Effect in Ferroelectric Tunnel Junctions with Symmetric Electrodes. ACS Nano, 6 (2), 1473-1478. doi:10.1021/nn2043324 Peer Reviewed verified by ORBi |
 | Stengel, M., Fennie, C. J., & Ghosez, P. (2012). Electrical properties of improper ferroelectrics from first principles. Physical Review. B, Condensed Matter and Materials Physics, 86, 094112. doi:10.1103/PhysRevB.86.094112 Peer Reviewed verified by ORBi |
 | Verissimo-Alves, M., Garcia-Fernandez, P., Bilc, D., Ghosez, P., & Junquera, J. (2012). Highly Confined Spin-Polarized Two-Dimensional Electron Gas in SrTiO3/SrRuO3 Superlattices. Physical Review Letters, 108, 107003. doi:10.1103/PhysRevLett.108.107003 Peer Reviewed verified by ORBi |
Ghosez, P. (30 November 2011). Engineering new phenomena at oxide interfaces [Paper presentation]. Fall Meeting of the MRS, Boston, United States. |
Zanolli, Z., Wojdel, J.-C., Iniguez, J., & Ghosez, P. (30 November 2011). Electric control of the Magnetization in BiFeO3/LaFeO3 superlattices [Paper presentation]. Fall Meeting of the MRS, Boston, United States. |
Ghosez, P. (2011). Zoom sur le nano [Paper presentation]. Collège de Belgique, Bruxelles, Belgium. |
Ghosez, P. (14 October 2011). First-principles theory and modelling of multiferroic compounds [Paper presentation]. ISOE, Cargèse, France. |
Ghosez, P. (14 October 2011). First principles theory and modelling of ferroelectric compouds [Paper presentation]. ISOE, Cargèse, France. |
Xu, B., Diakhate, M., Verstraete, M., & Ghosez, P. (October 2011). First-principles study of thermoelectric properties in SrTiO3 and FeSb2 [Poster presentation]. Workshop on New Materials for Renewable Energy, Trieste, Italy. |
Amisi, S., Bousquet, E., & Ghosez, P. (02 July 2011). First-principles study of structural and vibrational properties of SrZrO3 [Poster presentation]. European Meeting on Ferroelectricity, Bordeaux, France. |
Bilc, D., & Ghosez, P. (02 July 2011). Improved deescription of Schottky barriers at metal/ferroelectric interfaces [Paper presentation]. European Meeting on Ferroelectricity, Bordeaux, France. |
Djani-Ait, H., Bousquet, E., Kellou, H., & Ghosez, P. (02 July 2011). First principles study of Bi2WO6 ferroelectric material [Paper presentation]. European Meeting on Ferroelectricity, Bordeaux, France. |
Prikockyte, A., Hermet, P., Dubourdieu, C., & Ghosez, P. (02 July 2011). First-principles calculations and Raman measurements of ferroelectric YMnO3 [Paper presentation]. European Meeting on Ferroelectricity, Bordeaux, France. |
Xu, B., Verstraete, M., & Ghosez, P. (May 2011). First-Principles Study of Electron-Phonon Coupling in STO and 2DEG [Paper presentation]. Third International Oxide Workshop, Olbia, Italy. |
Ghosez, P. (26 April 2011). Engineering exotic phenomena at oxide interfaces [Paper presentation]. FUNDP. Invited seminar, Namur, Belgium. |
Ghosez, P. (08 April 2011). Engineering exotic phenomena at oxide interfaces [Paper presentation]. Unité Mixte de Physique CNRS/Thales, Paris, France. |
Bilc, D., Verstraete, M., Alves, P., Delugas, P., Madsen, G., & Ghosez, P. (April 2011). Electronic transport properties within Boltzmann transport formalism [Poster presentation]. 5th International Abinit Developer Workshop, Han-sur-Lesse, Belgium. |
Kumar Saha, S., Diakhate, M., Verstraete, M., & Ghosez, P. (April 2011). The self-consistent ab-initio Lattice Dynamical Method interfaced with ABINIT and QE [Poster presentation]. 5th International Abinit Developer Workshop, Han-sur-Lesse, Belgium. |
Ghosez, P. (25 March 2011). Engineering exotic phenomena at oxide interfaces [Paper presentation]. 2011 March Meeting of the American Physical Society, Dallas, United States. |
Iniguez, J., Wojdel, C., Hermet, P., Ghosez, P., & Zanolli, Z. (25 March 2011). All-atom effective models for first-principles simulations of the temperature-dependent behavior of complex ferroelectric oxides [Paper presentation]. 2011 March Meeting of the American Physical Society, Dallas, United States. |
Verissimo Alves, M., Bilc, D., Garcia Fernandez, P., Ghosez, P., & Junquera, J. (25 March 2011). Highly confined 2D electron gas in SrTiO3/SrRuO3 superlattices [Paper presentation]. 2011 March Meeting of the American Physical Society, Dallas, United States. |
Ghosez, P. (04 March 2011). Tuning the ferroelectric and multiferroic properties in oxide thin films and superlattices [Paper presentation]. 2nd Workshop of the Leverhulme Network on Nanoscale Ferroelectrics, Combloux, France. |
Ghosez, P. (17 January 2011). Tuning the ferroelectric and multiferroic properties in oxide thin films and superlattices [Paper presentation]. KUL Invited seminar, Louvain, Belgium. |
 | Delugas, P., Filippetti, A., Fiorentini, V., Bilc, D., Fontaine, D., & Ghosez, P. (2011). Spontaneous 2-Dimensional Carrier Confinement at the n-Type SrTiO3=LaAlO3 Interface. Physical Review Letters, 106, 166807. doi:10.1103/PhysRevLett.106.166807 Peer Reviewed verified by ORBi |
 | Cancellieri, C., Fontaine, D., Gariglio, S., Reyren, N., Caviglia, A. D., Fête, A., Leake, S. J., Pauli, S. A., Willmott, P. R., Stengel, M., Ghosez, P., & Triscone, J.-M. (2011). Electrostriction at the LaAlO3/SrTiO3 Interface. Physical Review Letters, 107, 056102. doi:10.1103/PhysRevLett.107.056102 Peer Reviewed verified by ORBi |
 | Zubko, P., Gariglio, S., Gabay, M., Ghosez, P., & Triscone, J.-M. (2011). Interface Physics in Complex Oxide Heterostructures. Annual Review of Condensed Matter Physics, 2, 141-165. doi:10.1146/annurev-conmatphys-062910-140445 Peer reviewed |
 | Ghosez, P., & Triscone, J.-M. (2011). Coupling of three lattice instabilities. Nature Materials, 10, 269-270. doi:10.1038/nmat3003 Peer Reviewed verified by ORBi |
 | Prikockyte, A., Bilc, D., Hermet, P., Dubourdieu, C., & Ghosez, P. (2011). First-principles calculations of the structural and dynamical properties of ferroelectric YMnO3. Physical Review. B, Condensed Matter and Materials Physics, 84, 214301. doi:10.1103/PhysRevB.84.214301 Peer Reviewed verified by ORBi |
 | Bilc, D., & Ghosez, P. (2011). Electronic and thermoelectric properties of Fe2VAl: The role of defects and disorder. Physical Review. B, Condensed Matter and Materials Physics, 83, 205204. doi:10.1103/PhysRevB.83.205204 Peer Reviewed verified by ORBi |
Ghosez, P. (03 December 2010). Tuning the ferroelectric and multiferroic properties in oxide thin films and superlattices [Paper presentation]. School on Computational Modelling of Materials, Anvers, Belgium. |
Ghosez, P. (13 November 2010). Coupling of structural instabilities at oxide interfaces : a first-principles approach [Paper presentation]. OxIDes kick-off meeting, Liège, Belgium. |
Ghosez, P. (2010). Tuning the ferroelectric and multiferroic properties in oxide thin films and superlattices [Paper presentation]. AQUIFER. Invited seminar, L'Aquila, Italy. |
Ghosez, P. (October 2010). Tuning ferroelectric and multiferroic properties in oxide thin films and superlattices [Paper presentation]. AQUIFER, L'Aquila, Italy. |
Ghosez, P. (17 September 2010). Tuning the competition between ferroelectric and antiferrodistortive instabilities in ABO3 nanostructures [Paper presentation]. EMRS (session G), Warsaw, Poland. |
Alves, M. V., Bilc, D., Ghosez, P., & Junquera, J. (17 September 2010). Highly-confined 2D electron gas in SrTiO3/SrRuO3 superlattices [Poster presentation]. Psi-k 2010 Conference, Berlin, Germany. |
Verissimo Alves, M., Garcia Fernandez, P., Bilc, D., Ghosez, P., & Junquera, J. (September 2010). Highly confined 2D electron gas in SrTiO3/SrRuO3 superlattices [Poster presentation]. Psi-k 2010 Conference, Berlin, Germany. |
Bousquet, E., Spaldin, N., & Ghosez, P. (August 2010). Strain induced ferroelectricity and multiferroicity in rocksalt binary oxides [Paper presentation]. XIX International Materials Research Congress, Cancun, Mexico. |
Ghosez, P. (09 July 2010). Tuning the ferroelectric and multiferroic properties in oxide thin films and superlattices [Paper presentation]. ICAMM Conference, Nantes, France. |
Ghosez, P. (2010). Tuning the ferroelectric and multiferroic properties in oxide thin films and superlattices [Paper presentation]. Max Planck Institute. Invited seminar, Halle, Germany. |
Bousquet, E., & Ghosez, P. (June 2010). Combining structural instabilities in strained perovskite oxide superlattices [Paper presentation]. EMRS, Strasbourg, France. |
Bilc, D., Novaes, F., Iniguez, J., Ordejon, P., & Ghosez, P. (June 2010). Tunneling across a ferroelectric barrier : a first-principles study [Paper presentation]. CIMTEC - 12th International Ceramics Congress, Montecatini Terme, Italy. |
Ghosez, P. (28 May 2010). Tuning the multiferroic properties of oxides in thin films and superlattices [Paper presentation]. CECAM workshop on multiferroics, Lausanne, Switzerland. |
Ghosez, P. (10 May 2010). Tuning the ferroelectric and multiferroic properties in oxide thin films and superlattices [Paper presentation]. FUNDP. Invited seminar, Namur, Belgium. |
Ghosez, P. (30 April 2010). Non-linear responses to atomic displacements and electric fields [Paper presentation]. Linear and non-linear responses of solids with the ABINIT software : phonons, electric filds and other perturbations, CECAM, Lausanne, Switzerland. |
Ghosez, P. (30 April 2010). Interatomic force constants and phonon dispersion curves [Paper presentation]. Linear and non-linear responses of solids with the ABINIT software : phonons, electric filds and other perturbations, CECAM, Lausanne, Switzerland. |
Ghosez, P. (17 March 2010). Tuning the ferroelectric and multiferroic properties in oxide thin films and superlattices [Paper presentation]. Strain in transition metal oxides : tuning magnetic and electric functionalities - 452nd Heraeus seminar, Bad Honnef, Germany. |
Bousquet, E., & Ghosez, P. (March 2010). Competition between structural instabilities in strained ABO3 nanostructures [Paper presentation]. 2010 March Meeting of the American Physical Society, Portland, United States. |
Safari, A., Bousquet, E., & Ghosez, P. (March 2010). First-principles study of structural and vibrational properties of SrZrO3 [Poster presentation]. 452nd Heraeus seminar, Bad Honnef, Germany. |
Ghosez, P. (02 February 2010). Making simple rocksalt binary oxide ferroelectric [Paper presentation]. Advances in the Fundamental Physics of Ferroelectrics and Related Materials, Aspen, United States. |
Bousquet, E., & Ghosez, P. (02 February 2010). Ferroelectric and antipolar instabilities in BaTiO3/BaO superlattices from first-principles [Paper presentation]. Advances in the Fundamental Physics of Ferroelectrics and Related Materials, Aspen, United States. |
Bilc, D., & Ghosez, P. (February 2010). First-principle electronic structure and transport properties of Fe2Val [Poster presentation]. 451-Wilhelm and Else Heraeus Seminar on "Nanostructured Thermoelectric Materials, Bad Honnef, Germany. |
Ghosez, P. (2010). Engineering new functional properties in oxide nanostructures : a first-principles approach [Paper presentation]. IMEC. Invited seminar, Louvain, Belgium. |
 | Bousquet, E., Spaldin, N., & Ghosez, P. (2010). Strain-induced ferroelectricity in simple rocksalt binary oxides. Physical Review Letters, 104, 037601. doi:10.1103/PhysRevLett.104.037601 Peer Reviewed verified by ORBi |
Fontaine, D., & Ghosez, P. (2010). Theory and modelling of functional materials [Paper presentation]. First Leverhulme Workshop on Nanoscale ferroelectrics, Bushmills, United Kingdom. |
 | Hermet, P., & Ghosez, P. (2010). First-principles study of the dynamical and nonlinear optical properties of urea single crystals. Physical Chemistry Chemical Physics, 12, 835-843. doi:10.1039/b917347a Peer Reviewed verified by ORBi |
 | Bousquet, E., Junquera, J., & Ghosez, P. (2010). First-principles study of competing ferroelectric and antiferroelectric instabilities in BaTiO3/BaO superlattices. Physical Review. B, Condensed Matter and Materials Physics, 82, 045426. doi:10.1103/PhysRevB.82.045426 Peer Reviewed verified by ORBi |
Bousquet, E., Spaldin, N., & Ghosez, P. (December 2009). Strain induced ferroelectricity in simple rocksalt binary oxides [Paper presentation]. MRS fall meeting, Boston, United States. |
Ghosez, P. (28 May 2009). First-principles modelling of multiferroics : recent advances [Paper presentation]. MACOMUFI topic meeting, Berlin, Germany. |
Novaes, F., Bilc, D., Ordejon, P., Iniguez, J., & Ghosez, P. (08 April 2009). Tunneling across a ferroelectric barrier : a first-principles study [Paper presentation]. International Nanoxide Workshop, Valbella, Switzerland. |
Bilc, D., & Ghosez, P. (March 2009). Improved description of Schottky barriers at metal/ferroelectric interfaces [Poster presentation]. 4th International Abinit Developer Workshop, Autrans, France. |
Ghosez, P. (13 February 2009). Engineering Exotic Properties at the Interfaces in Oxides Nanostructures : Toward a New Generation of Artificial Functional Materials ? [Paper presentation]. EMMI Industry Meeting, Paris, France. |
 | Hermet, P., Veithen, M., & Ghosez, P. (2009). Raman scattering intensities in BaTiO3 and PbTiO3 prototypical ferroelectrics from density functional theory. Journal of Physics: Condensed Matter, 21, 215901. doi:10.1088/0953-8984/21/21/215901 Peer Reviewed verified by ORBi |
 | Durgun, E., Ghosez, P., Shaltaf, R., Gonze, X., & Raty, J.-Y. (2009). Polarization vortices in germanium telluride nanoplatelets: A theoretical study [letter to the editor]. Physical Review Letters, 103, 247601. doi:10.1103/PhysRevLett.103.247601 Peer Reviewed verified by ORBi |
 | Bhattacharjee, S., Bousquet, E., & Ghosez, P. (2009). Engineering Multiferroism in CaMnO3. Physical Review Letters, 102, 117602. doi:10.1103/PhysRevLett.102.117602 Peer Reviewed verified by ORBi |
 | Goffinet, M., Hermet, P., Bilc, D., & Ghosez, P. (2009). Hybrid functional study of prototypical multiferroic bismuth ferrite. Physical Review. B, Condensed Matter and Materials Physics, 79 (1). doi:10.1103/PhysRevB.79.014403 Peer Reviewed verified by ORBi |
 | Gonze, X., Amadon, B., Anglade, P.-M., Beuken, J.-M., Bottin, F., Boulanger, P., Bruneval, F., Caliste, D., Caracas, R., Côté, M., Deutsch, T., Genovese, L., Ghosez, P., Giantomassi, M., Goedecker, S., Hamann, D. R., Hermet, P., Jollet, F., Jomard, G., ... Zwanziger, J. W. (2009). ABINIT: First-principles approach to material and nanosystem properties. Computer Physics Communications, 180, 2582-2615. doi:10.1016/j.cpc.2009.07.007 Peer Reviewed verified by ORBi |
 | Hermet, P., Goffinet, M., & Ghosez, P. (2009). Comment on "Electronic structure and zone-center phonon modes in multiferroic bulk BiFeO3" [J. Appl. Phys. 103, 083712 (2008)]. Journal of Applied Physics, 105, 036108. doi:10.1063/1.3074369 Peer Reviewed verified by ORBi |
 | Shannon, R. D., Fischer, R. X., Medenbach, O., Bousquet, E., & Ghosez, P. (2009). Correlation between optical constants and crystal chemical parameters of ZrW2O8. Journal of Solid State Chemistry, 182 (10), 2762-2768. doi:10.1016/j.jssc.2009.07.035 Peer Reviewed verified by ORBi |
Ghosez, P. (25 December 2008). First-principles modelling of magneto-electric multiferroics [Paper presentation]. QCN annual meeting (PAI), Leuven, Belgium. |
Bousquet, E., & Ghosez, P. (December 2008). Combining ferroelectric and antiferrodistortive structural instabilities in perovskite oxide artificial superlattices [Paper presentation]. MRS fall meeting, Boston, United States. |
Novaes, F., Bile, D., Ordejon, P., Iniguez, J., & Ghosez, P. (December 2008). Tunneling across a ferroelectric barrier : a first-principles study [Paper presentation]. MRS fall meeting, Boston, United States. |
Dawber, M., Bousquet, E., Stucki, N., Lichtensteiger, C., Hermet, P., Gariglio, S., Ghosez, P., & Triscone, J.-M. (December 2008). Improper ferroelectricity in perovskite oxide artificial superlattices [Paper presentation]. MRS fall meeting, Boston, United States. |
Bousquet, E., & Ghosez, P. (December 2008). Combining ferroelectric and antiferrodistortive structural instabilities in perovskite oxide artificial superlattices [Paper presentation]. MRS fall meeting, Boston, United States. |
Bilc, D., & Ghosez, P. (December 2008). Improved Description of Schottky Barrier Heights at Metal/ferroelectric Interfaces [Paper presentation]. MRS fall meeting, Boston, United States. |
Durgun, E., Shaltaf, R., Gonze, X., Ghosez, P., & Raty, J.-Y. (December 2008). Polarization Vortices in GeTe Nanoclusters [Paper presentation]. MRS fall meeting, Boston, United States. Editorial reviewed |
Battacharjee, S., Bousquet, E., & Ghosez, P. (December 2008). Competing structural instabilities in CaMnO3 [Paper presentation]. MRS fall meeting, Boston, United States. |
Ghosez, P. (10 October 2008). Engineering exotic phenomena at ferroelectric oxide interfaces : a first-principles perspective [Paper presentation]. International Workshop on Nanoferronics, Aachen, Germany. |
Bilc, D., Novaes, D., Iniguez, J., Ordejon, P., & Ghosez, P. (October 2008). Tunneling across a ferroelectric barrier : a first-principles study [Poster presentation]. International Workshop on Nanoferronics, Aachen, Germany. |
Bilc, D., & Ghosez, P. (October 2008). Improved description of Schottky barriers at metal/ferroelectric interfaces [Poster presentation]. International Workshop on Nanoferronics, Aachen, Germany. |
Novaes, F., Bilc, D., Ordejon, P., Iniguez, J., & Ghosez, P. (September 2008). Tunneling across a ferroelectric barrier : a first-principles study [Paper presentation]. 15th International workshop on Oxide Electronics, Estes Park, United States. |
Bousquet, E., & Ghosez, P. (September 2008). Combining ferroelectric and antiferrodistortive structural instabilities in perovskite oxide artificial superlattices [Paper presentation]. 15th International workshop on Oxide Electronics, Estes Park, United States. |
Battacharjee, S., Bousquet, E., & Ghosez, P. (30 May 2008). First-principles study of the dielectric and dynamical properties of orthorhombic CaMnO3 [Paper presentation]. E-MRS 2008, Strasbourg, France. |
Bousquet, E., Dawber, M., Stucki, N., Lichtensteiger, C., Hermet, P., Triscone, J.-M., & Ghosez, P. (30 May 2008). Improper ferroelectricity in artificial ferroelectric oxide superlattices [Paper presentation]. E-MRS 2008, Strasbourg, France. |
Bhattacharjee, S., Bousquet, E., & Ghosez, P. (30 May 2008). Competition between structural instabilities in CaMnO3 [Paper presentation]. E-MRS 2008, Strasbourg, France. |
Ghosez, P. (24 May 2008). Engineering Exotic Properties at the Interfaces in Oxides Nanostructures : Toward a New Generation of Artificial Functional Materials ? [Paper presentation]. EMMI Industry Meeting, Paris, France. |
Ghosez, P. (May 2008). Les nanostructures d'oxydes ferroélectriques : enjeux technologiques, prédictions théoriques et avancées expérimentales [Paper presentation]. ULG. Invited seminar, Liège, Belgium. |
Bousquet, E., Dawber, M., Stucki, N., Lichtensteiger, C., Hermet, P., Gariglio, S., Triscone, J.-M., & Ghosez, P. (11 April 2008). Improper ferroelectricity in artificial ferroelectric oxide superlattices [Paper presentation]. THIOX Topical meeting : advances and new challenges in oxide electronics, Sestri Levante, Italy. |
Bilc, D., & Ghosez, P. (14 March 2008). A new hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxide bulks and nanostructures [Paper presentation]. 2008 March Meeting of the American Physical Society, New Orleans, United States. |
Dawber, M., Stucki, N., Lichtensteiger, C., Bousquet, E., Hermet, P., Ghosez, P., & Triscone, J.-M. (13 February 2008). Tailored and Improper Ferroelectricity in PbTiO3/SrTiO3 Superlattices : I. Experimental Results [Paper presentation]. Fundamental Physics of Ferroelectrics, Williamsburg, United States. |
Bousquet, E., Dawber, M., Stucki, N., Lichtensteiger, C., Hermet, P., Triscone, J.-M., & Ghosez, P. (13 February 2008). Tailored and Improper Ferroelectricity in PbTiO3/SrTiO3 Superlattices : II. Theoretical Results [Paper presentation]. Fundamental Physics of Ferroelectrics, Williamsburg, United States. |
 | Bousquet, E., Dawber, M., Stucki, N., Lichtensteiger, C., Hermet, P., Gariglio, S., Triscone, J.-M., & Ghosez, P. (2008). Improper ferroelectricity in perovskite oxide artificial superlattices. Nature, 452 (7188), 732-736. doi:10.1038/nature06817 Peer Reviewed verified by ORBi |
 | Shaltaf, R., Durgun, E., Raty, J.-Y., Ghosez, P., & Gonze, X. (2008). Dynamical, dielectric, and elastic properties of GeTe investigated with first-principles density functional theory. Physical Review. B, Condensed Matter and Materials Physics, 78, 205203. doi:10.1103/PhysRevB.78.205203 Peer Reviewed verified by ORBi |
 | Geneste, G., Bousquet, E., & Ghosez, P. (2008). New insight into the concept of ferroelectric correlation volume. Journal of Computational and Theoretical Nanoscience, 5 (4), 517-520. doi:10.1166/jctn.2008.2493 Peer Reviewed verified by ORBi |
 | Junquera, J., & Ghosez, P. (2008). First-Principles Study of Ferroelectric Oxide Epitaxial Thin Films and Superlattices: Role of the Mechanical and Electrical Boundary Conditions. Journal of Computational and Theoretical Nanoscience, 5 (11), 2071-2088. doi:10.1166/jctn.2008.1101 Peer Reviewed verified by ORBi |
 | Bilc, D., Orlando, R., Shaltaf, R., Rignanese, G.-M., Iniguez, J., & Ghosez, P. (2008). A new hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides. Physical Review. B, Condensed Matter and Materials Physics, 77, 165107. doi:10.1103/PhysRevB.77.165107 Peer Reviewed verified by ORBi |
 | Bhattacharjee, S., Bousquet, E., & Ghosez, P. (2008). First-principles study of the dielectric and dynamical properties of orthorhombic CaMnO3. Journal of Physics: Condensed Matter, 20, 255229. doi:10.1088/0953-8984/20/25/255229 Peer Reviewed verified by ORBi |
 | Hermet, P., Veithen, M., & Ghosez, P. (14 November 2007). First-principles calculations of the nonlinear optical susceptibilities and Raman scattering spectra of lithium niobate. Journal of Physics: Condensed Matter, 19, 456202. doi:10.1088/0953-8984/19/45/456202 Peer Reviewed verified by ORBi |
Bousquet, E., Dawber, M., Stucki, N., Lichtensteiger, C., Hermet, P., Triscone, J.-M., & Ghosez, P. (10 October 2007). Improper ferroelectricity in perovskite oxide artificial superlattices [Paper presentation]. 14th International Workshop on Oxide Electronics - WOE 14, Jeju Island, South Korea. |
Dawber, M., Stucki, N., Lichtensteiger, C., Gariglio, S., Bousquet, E., Hermet, P., Ghosez, P., & Triscone, J.-M. (10 October 2007). Interfacial interactions in ferroelectric superlattices revealed through their phase transitions [Paper presentation]. 14th International Workshop on Oxide Electronics - WOE 14, Jeju Island, South Korea. |
Ghosez, P. (29 September 2007). Tailoring the properties of ferroelectric oxide superlattices [Paper presentation]. DyProSo XXI International Symposium on the dynamical properties of solids, Porto, Portugal. |
Bhattacharjee, S., Bousquet, E., & Ghosez, P. (September 2007). Zone-center phonons of cubic perovskite CaMnO3 [Poster presentation]. Conference on Computational Physics CCP2007, Bruxelles, Belgium. |
Bousquet, E., & Ghosez, P. (June 2007). Predicting the properties of artificial ferroelectric superlattices from first principles [Paper presentation]. European Multifunctional Materials Workshop, Haholmen Havstuer, Averoy, Norway. |
Bilc, D., Novaes, F., Ordejon, P., & Ghosez, P. (12 May 2007). First-principle study of Au/BaZrO3 Ferroelectric Tunneling Junctions [Paper presentation]. International Symposium on Integrated Ferroelectrics (ISIF), Bordeaux, France. |
Ghosez, P. (May 2007). Tailoring the properties of artificial ferroelectric superlattices [Paper presentation]. University of Sheffield. Invited seminar, Sheffield, United Kingdom. |
Bousquet, E., Dawber, M., Triscone, J.-M., & Ghosez, P. (May 2007). Competing instabilities in PbTiO3/SrTiO3 multilayers: a first-principles study [Paper presentation]. International Symposium on Integrated Ferroelectrics (ISIF), Bordeaux, France. |
Ghosez, P. (2007). Tailoring the properties of artificial ferroelectric superlattices [Paper presentation]. FZ Julich. Invited seminar, Germany. |
Bilc, D., Hermet, P., Iniguez, J., & Ghosez, P. (09 March 2007). Comparative study of the properties of BaTiO3 and PbTiO3 using DFT (LDA, GGA), HF and hybrid (B3LYP) functionals [Paper presentation]. 2007 March meeting of the American Physical Society, Denver, United States. |
Bousquet, E., Dawber, M., Triscone, J.-M., & Ghosez, P. (March 2007). Unexpected coupling between antiferrodistortive and ferroelectric instabilities in PbTiO3/SrTiO3 multilayers [Paper presentation]. 5th THIOX topical meeting, Sant Feliu De Guixols, Spain. |
Bilc, D., & Ghosez, P. (March 2007). Electronic structure calculations on Au/BaZrO3 interface system [Poster presentation]. Symposium on Complex Materials of the Volkswagen Foundation, Kerkrade, Netherlands. |
Bousquet, E., Hermet, P., & Ghosez, P. (March 2007). First-principles study of PbTiO3/SrTiO3 multilayers [Poster presentation]. 3rd Symposium on Complex Materials, Kerkrade, Netherlands. |
Bilc, D., Hermet, P., Iniguez, J., & Ghosez, P. (13 January 2007). Comparative study of the properties of BaTiO3 and PbTiO3 using DFT (LDA, GGA), HF and hybrid (B3LYP) functionals [Poster presentation]. 13th International Workshop on computational Physics and Materials Science : Total Energy and force Methods, Trieste, Italy. |
Rabe, K. M., & Ghosez, P. (2007). First-principles studies of ferroelectric oxides. In Physics of Ferroelectrics: A Modern Perspective (pp. 117-174). Berlin, Germany: Springer-Verlag Berlin. |
Bousquet, E., Hermet, P., & Ghosez, P. (January 2007). First-principles study of PbTiO3/SrTiO3 multilayers [Poster presentation]. 3rd International ABINIT developper workshop, Liège, Belgium. |
 | Dawber, M., Stucki, N., Lichtensteiger, C., Gariglio, S., Ghosez, P., & Triscone, J.-M. (2007). Tailoring the properties of artificially layered ferroelectric superlattices. Advanced Materials, 49 (23), 4153-4159. doi:10.1002/adma.200700965 Peer Reviewed verified by ORBi |
 | Hermet, P., Goffinet, M., Kreisel, J., & Ghosez, P. (2007). Raman and infrared spectra of multiferroic bismuth ferrite from first principles. Physical Review. B, Condensed Matter and Materials Physics, 75, 220102. doi:10.1103/PhysRevB.75.220102 Peer Reviewed verified by ORBi |
Bousquet, E., Hermet, P., & Ghosez, P. (January 2007). First-principles study of PbTiO3/SrTiO3 multilayers [Poster presentation]. 13th International Workshop on computational Physics and Materials Science : Total Energy and force Methods, Trieste, Italy. |
 | Ghosez, P., & Veithen, M. (2007). First-principles study of filled and unfilled antimony skutterudites. Journal of Physics: Condensed Matter, 19, 096002. doi:10.1088/0953-8984/19/9/096002 Peer Reviewed verified by ORBi |
 | Hermet, P., Izard, N., Rahmani, A., & Ghosez, P. (14 December 2006). Raman scattering in crystalline oligothiophenes: A comparison between density functional theory and bond polarizability model. Journal of Physical Chemistry B, 110 (49), 24869-24875. doi:10.1021/jp064700n Peer Reviewed verified by ORBi |
Ghosez, P. (December 2006). First principles modeling of ferroelectric oxide thin films and multilayers [Paper presentation]. Rijks Univerisity of Groningen. Invited seminar, Groningen, Netherlands. |
Ghosez, P. (24 November 2006). First-principles modeling of ferroelectric ultrathin films and multilayers [Paper presentation]. Journées Couches minces Ferroélectriques (JCF-2006) and RFUF-4 meeting, Amiens, France. |
 | Bousquet, E., & Ghosez, P. (November 2006). First-principles study of barium titanate under hydrostatic pressure. Physical Review. B, Condensed Matter and Materials Physics, 74, 180101. doi:10.1103/PhysRevB.74.180101 Peer Reviewed verified by ORBi |
Bousquet, E., & Ghosez, P. (October 2006). First-principles study of (BaTiO3)m/(BaO)n multilayers [Poster presentation]. XIII International Workshop on Oxide Electronics, Ischia, Italy. |
 | Nagarajan, V., Junquera, J., He, J. Q., Jia, C. L., Waser, R., Lee, K., Kim, Y. K., Baik, S., Zhao, T., Ramesh, R., Ghosez, P., & Rabe, K. M. (01 September 2006). Scaling of structure and electrical properties in ultrathin epitaxial ferroelectric heterostructures. Journal of Applied Physics, 100, 051609. doi:10.1063/1.2337363 Peer Reviewed verified by ORBi |
Ghosez, P. (2006). First principles study of ferroelectric oxide nanostructures [Paper presentation]. CRISMAT, Caen, France. |
Ghosez, P. (2006). First principles study of the lattice dynamics of multifunctional ABO3 compounds [Paper presentation]. ILL, Grenoble, France. |
Ghosez, P. (April 2006). Nanoferroélectriques : enjeux technologiques, prédictions théoriques et avancées expérimentales [Paper presentation]. Inaugural meeting of the MAIN thematic doctoral school, Bruxelles, Belgium. |
Ghosez, P. (March 2006). Non-linear responses of infinite solids to homogeneous electric fields and collective atomic displacements [Paper presentation]. 2006 March Meeting of the American Physical Society, Baltimore, United States. |
Hammad, G., Raty, J.-Y., & Ghosez, P. (March 2006). Structure and electronic properties of GeTe nanoparticles from ab initio calculations [Paper presentation]. 2006 March Meeting of the American Physical Society, Baltimore, United States. Editorial reviewed |
Bousquet, E., & Ghosez, P. (15 February 2006). First-principles study of (BaTiO3)m/(BaO)n multilayers [Poster presentation]. 2006 Workshop on Fundamental Physics of Ferroelectrics, Williamsburg, United States. |
Ghosez, P. (15 February 2006). First-principles modeling of ferroelectric ultrathin films and multilayers [Paper presentation]. 2006 Workshop on Fundamental Physics of Ferroelectrics, Williamsburg, United States. |
 | Despont, L., Koitzsch, C., Clerc, F., Garnier, M., Aebi, P., Lichtensteiger, C., Triscone, J. M., Garcia de Abajo, F. J., Bousquet, E., & Ghosez, P. (2006). Direct evidence for ferroelectric polar distortion in ultrathin lead titanate perovskite films. Physical Review. B, Condensed Matter and Materials Physics, 73, 094110. doi:10.1103/PhysRevB.73.094110 Peer Reviewed verified by ORBi |
Ghosez, P., & Junquera, J. (2006). First-principles modeling of ferroelectric oxide nanostructures. In Handbook of theoretical and computational nanotechnology (pp. 623-728). |
 | Geneste, G., Bousquet, E., Junquera, J., & Ghosez, P. (2006). Finite-size effects in BaTiO3 nanowires. Applied Physics Letters, 88, 112906. doi:10.1063/1.2186104 Peer Reviewed verified by ORBi |
Junquera, J., Ghosez, P., & Rabe, K. M. (02 December 2005). First-principles calculations on size effects in epitaxial ferroelectric heterostructures [Paper presentation]. MRS fall meeting, Boston, United States. |
Ghosez, P., Bousquet, E., & Junquera, J. (02 December 2005). First-principles modeling of ferroelectric nanowires [Paper presentation]. MRS fall meeting, Boston, United States. |
Lichtensteiger, C., Despont, L., Aebi, P., Bousquet, E., Ghosez, P., & Triscone, J.-M. (02 December 2005). Ferroelectricity in ultrathin perovskite films [Paper presentation]. MRS fall meeting, Boston, United States. |
Nagarajan, V., Junquera, J., Jia, C. L., Lee, K., Kim, Y. K., He, J., Kohlstedt, H., Misirlioglu, B., Ghosez, P., Alpay, P., Rabe, K., Waser, R., & Baik, S. (02 December 2005). Ultrathin epitaxial ferroelectric heterostructures [Paper presentation]. MRS fall meeting, Boston, United States. |
 | Dawber, M., Lichtensteiger, C., Cantoni, M., Veithen, M., Ghosez, P., Johnston, K., Rabe, K. M., & Triscone, J. M. (21 October 2005). Unusual behavior of the ferroelectric polarization in PbTiO3/SrTiO3 superlattices. Physical Review Letters, 95, 177601. doi:10.1103/PhysRevLett.95.177601 Peer Reviewed verified by ORBi |
Junquera, J., Ghosez, P., & Rabe, K. M. (September 2005). Interface effects in ferroelectric thin film devices [Paper presentation]. Psi-k 2005 Conference, Schwäbisch Gmünd, Germany. |
Bousquet, E., & Ghosez, P. (August 2005). First-principles study of (BaTiO3)m/(BaO)n multilayers [Poster presentation]. ABINIT Summer School, Santa Barbara, United States. |
Ghosez, P. (2005). First principles modeling of ferroelectric oxide nanostructures [Paper presentation]. MATGAS inaugural meeting, Barcelone, Spain. |
Bousquet, E., Veithen, M., Ghosez, P., Dawber, M., & Triscone, J.-M. (May 2005). First-principles study of ferroelectric multilayers [Paper presentation]. Thin films for novel oxide devices (THIOX), second topical meeting, Santa Margherita Ligure, Italy. |
Despont, L., Lichtensteiger, C., Clerc, F., Koitzsch, C., GARNIER, M., Garcia de Abajo, F. J., Ghosez, P., Triscone, J.-M., & Aebi, P. (May 2005). Non-centro-symmetry and tetragonality in ultrathin lead titane : evidence for ferroelectricity by x-ray photoelectron diffraction [Paper presentation]. Thin films for novel oxide devices (THIOX), second topical meeting, Santa Margherita Ligure, Italy. |
Lichtensteiger, C., Triscone, J.-M., Junquera, J., & Ghosez, P. (May 2005). Ferroelectricity in ultrathin PbTiO3 films [Paper presentation]. Thin films for novel oxide devices (THIOX), second topical meeting, Santa Margherita Ligure, Italy. |
Dawber, M., Lichtensteiger, C., Stucki, N., Cantoni, M., Veithen, M., Ghosez, P., Johnston, K., Rabe, K. M., & Triscone, J.-M. (May 2005). Unusual behaviour of the ferroelectric polarization in PbTiO3/SrTiO3 superlattices [Paper presentation]. Thin films for novel oxide devices (THIOX), second topical meeting, Santa Margherita Ligure, Italy. |
Junquera, J., Ghosez, P., & Rabe, K. M. (March 2005). Polarization scaling in ultrathin epitaxial ferroelectric heterostructures : first-principles results [Paper presentation]. 2005 March Meeting of the American Physical Society, Los Angeles, United States. |
Ghosez, P. (26 February 2005). First-principles modeling of ferroelectric ultrathin films and multilayers [Paper presentation]. 2nd International workshop on oxidic interfaces, Wittenberg, Germany. |
Ghosez, P. (02 February 2005). First-principles modeling of nanosized ferroelectric structures for the electronics [Paper presentation]. SFV : Nouveaux oxydes à forte permittivité dans l'intégration des semi-conducteurs, Autrans, France. |
 | Veithen, M., Gonze, X., & Ghosez, P. (2005). Nonlinear optical susceptibilities, Raman efficiencies, and electro-optic tensors from first-principles density functional perturbation theory. Physical Review. B, Condensed Matter and Materials Physics, 71, 125107. doi:10.1103/PhysRevB.71.125107 Peer Reviewed verified by ORBi |
 | Gonze, X., Rignanese, G.-M., Verstraete, M., Beuken, J.-M., Pouillon, Y., Caracas, R., Jollet, F., Torrent, M., Zerah, G., Mikami, M., Ghosez, P., Raty, J.-Y., Veithen, M., Olevano, V., Reining, L., Godby, R., Onida, G., Hamann, D., & Allan, D. C. (2005). A brief introduction to the ABINIT software project. Zeitschfrift für Kristallographie, 220, 558-562. doi:10.1524/zkri.220.5.558.65066 Peer Reviewed verified by ORBi |
 | Lichtensteiger, C., Triscone, J. M., Junquera, J., & Ghosez, P. (2005). Ferroelectricity and tetragonality in ultrathin PbTiO3 films. Physical Review Letters, 94, 047603. doi:10.1103/PhysRevLett.94.047603 Peer Reviewed verified by ORBi |
 | Veithen, M., & Ghosez, P. (2005). Temperature dependence of the electro-optic tensor and refractive indices of BaTiO3 from first principles. Physical Review. B, Condensed Matter and Materials Physics, 71, 132101. doi:10.1103/PhysRevB.71.132101 Peer Reviewed verified by ORBi |
Ghosez, P. (19 November 2004). First-principles study of ferroelectric nanostructures : a new insight into the concept of ferroelectric correlation volume [Paper presentation]. Journées Couches minces Ferroélectriques (JCF-2004), Besançon, France. |
Lichteinsteiger, C., Junquera, J., Ghosez, P., & Triscone, J.-M. (November 2004). Ferroelectricity and tetragonality in ultrathin PbTiO3 films [Paper presentation]. MRS fall meeting, Boston, United States. |
Ghosez, P. (25 June 2004). Fundamental size limits in ferroelectricity : recent theoretical and experimental advances [Paper presentation]. NANOWAL network meeting, Liège, Belgium. |
Ghosez, P. (04 June 2004). First-principles modeling of nanosized ferroelectric hybrid structures [Paper presentation]. Computational Modeling and Simulation of Materials, Acireale, Sicilia, Italy. |
Veithen, M., Ghosez, P., Rabe, K. M., Vanderbilt, D., Souza, I., & Iniguez, J. (May 2004). First-principles study of periodic solids in a finite electric field [Paper presentation]. Second ABINIT International Workshop, Paris, France. |
Bousquet, E., Geneste, G., & Ghosez, P. (May 2004). First-principles study of BaTiO3 nanoparticles, nanowires and thin films [Poster presentation]. Second International ABINIT Developer workshop, Paris, France. |
Ghosez, P. (May 2004). Nanosized ferroelectric heterostructures for new multifunctional devices : recent experimental and theoretical advances [Paper presentation]. ICMCB, Bordeaux, France. |
Lichtensteiger, C., Paruch, P., Tybell, T., Giamarchi, T., Junquera, J., Ghosez, P., & Triscone, J.-M. (May 2004). Ferroelectricity and nanoscale ferroelectric writing in thin perovskite films [Paper presentation]. E-MRS Spring meeting, Strasbourg, France. |
Veithen, M., Gonze, X., & Ghosez, P. (May 2004). Computation of non-linear optical properties from density functional perturbation theory [Paper presentation]. Second ABINIT International Workshop, Paris, France. |
Veithen, M., Gonze, X., & Ghosez, P. (May 2004). First-principles study of the electrooptic effect in ferroelectric oxides [Paper presentation]. E-MRS Spring meeting, Strasbourg, France. |
Paruch, P., Lichtensteiger, C., Tybell, T., Giamarchi, T., Junquera, J., Ghosez, P., & Triscone, J.-M. (08 April 2004). Finite size effects and doman dynamics in ferroelectric perovskite films [Paper presentation]. the 16th International Symposium on Integrated Ferroelectrics (ISIF), Gyeongju, South Korea. |
Ghosez, P. (01 April 2004). Nanosized ferroelectric heterostructures for new multifunctional devices : recent experimental and theoretical advances [Paper presentation]. Laboratoire PCPM, UCL. Invited Seminar, Louvain-la-Neuve, Belgium. |
Lichtensteiger, C., Triscone, J.-M., Junquera, J., & Ghosez, P. (19 March 2004). Ferroelectricity and tetragonality in ultrathin PbTiO3 films : II experimental studies [Paper presentation]. First THIOX topical meeting, Santa Margherita Ligure, Italy. |
Ghosez, P., & Junquera, J. (19 March 2004). Ferroelectricity and tetragonality in ultrathin PbTiO3 films : I theory [Paper presentation]. First THIOX topical meeting, Santa Margherita Ligure, Italy. |
Veithen, V., Gonze, X., & Ghosez, P. (19 March 2004). First-principles study of the electro-optic effect in lithium niobate [Poster presentation]. First THIOX topical meeting, Santa Margherita Ligure, Italy. |
Geneste, G., Bousquet, E., & Ghosez, P. (11 February 2004). Ab initio study of ferroelectric nanowires and nanoparticles [Poster presentation]. Fundamental Physics of Ferroelectrics, Williamsburg, United States. |
Junquera, J., Dieguez, O., Rabe, K. M., & Ghosez, P. (11 February 2004). Ferroelectricity and tetragonality in perosvkite ultrathin films [Paper presentation]. Fundamental Physics of Ferroelectrics, Colonial Williamsburg, United States. |
Veithen, M., Gonze, X., & Ghosez, P. (11 February 2004). First-principles study of the electrooptic effect in ferroelectric oxides [Paper presentation]. Fundamental Physics of Ferroelectrics, Williamsburg, United States. |
Bousquet, E., Geneste, G., & Ghosez, P. (06 February 2004). First-principles study of BaTiO3 nanoparticles, nanowires and thin films [Poster presentation]. GDR-DFT 2004, La Londe les Maures, France. |
Ghosez, P., Hoebeke, M., & Llabres, G. (2004). Physique (J. Kane & M. Sternheim). (3rd ed). Paris, France: Dunod. |
Lichtensteiger, C., Paruch, P., Tybell, T., Giamarchi, T., Junquera, J., Ghosez, P., Despont, L., Aebi, P., & Triscone, J.-M. (2004). Ferroelectricity and domain dynamics in thin perovskite films [Paper presentation]. OXIDE Workshop 2004 Chalmers, Gotteborg, Sweden. |
Lichtensteiger, C., Triscone, J.-M., Junquera, J., & Ghosez, P. (2004). Ferroelectric properties of ultrathin perovskite films [Paper presentation]. Swiss Physical Society (SPS), Neuchatel, Switzerland. |
Lichtensteiger, C., Paruch, P., Tybell, T., Giamarchi, T., Junquera, J., Ghosez, P., & Triscone, J.-M. (2004). Ferroelectricity and domain dynamics in thin perovskite films [Paper presentation]. 2004 UK Ferroelectric Materials Network Conference, Cranfield, United Kingdom. |
Lichtensteiger, C., Triscone, J.-M., Junquera, J., & Ghosez, P. (2004). Ferroelectricity and domain dynamics in thin perovskite films [Poster presentation]. 11th International Workshop on Oxide Electronics (WOE-11), Hakone, Japan. |
 | Veithen, M., Gonze, X., & Ghosez, P. (2004). First-principles study of the electro-optic effect in ferroelectric oxides. Physical Review Letters, 93, 187401. doi:10.1103/PhysRevLett.93.187401 Peer Reviewed verified by ORBi |
Geneste, G., Bousquet, E., Veithen, M., Zimmer, M., Junquera, J., & Ghosez, P. (16 December 2003). First-principles modelling of ferroelectric hybrid structures [Poster presentation]. VW Symposium : complex materials, Bremen, Germany. |
Ghosez, P. (21 November 2003). First-principles study of ferroelectric ultrathin films [Paper presentation]. Symposium on Structure and Dynamics of Heterogeneous Systems (SDHS'03), Duisburg, Germany. |
Ghosez, P. (24 October 2003). First-principles modeling of nanosized ferroelectric structures for the electronics [Paper presentation]. NANOMAT Congress, Bruxelles, Belgium. |
Veithen, M., Gonze, X., & Ghosez, P. (01 October 2003). First-principles study of the electrooptic effect in ferroelectric oxides [Paper presentation]. CECAM workshop on "the position operator "r" in extended systems within DFT and HF", Lyon, France. |
Veithen, M., Gonze, X., & Ghosez, P. (01 October 2003). Localization tensor and Born effective charges in complex materials: applications to ferroelectric oxides and skutterudites [Paper presentation]. CECAM workshop on "the position operator "r" in extended systems within DFT and HF", Lyon, France. |
Ghosez, P. (19 September 2003). First-principles modeling of nanosized ferroelectric structures for the electronics [Paper presentation]. Journées Couches minces Ferroélectriques (JCF-2003), Bordeaux, France. |
Ghosez, P., & Junquera, J. (13 September 2003). Critical thickness for ferroelectricity in perovskite ultrathin films [Paper presentation]. 10th International Workshop on Oxide Electronics (WOE-10), Augsburg, Germany. |
Ghosez, P., & Junquera, J. (08 August 2003). Critical thickness for ferroelectricity in BaTiO3 ultra-thin films [Paper presentation]. 10th European Meeting on Ferroelectricity (EMF-10), Cambridge, United Kingdom. |
Ghosez, P. (22 May 2003). Critical thickness for ferroelectricity in perovskite ultrathin films [Paper presentation]. Département de Physique, Genève, Switzerland. |
Ghosez, P. (2003). Critical thickness for ferroelectricity in perovskite ultrathin films [Paper presentation]. Institut für Elektrokeramische Materialien, Forschungszentrum Jülich, Germany. |
 | Junquera, J., & Ghosez, P. (03 April 2003). Critical thickness for ferroelectricity in perovskite ultrathin films. Nature, 422 (6931), 506-509. doi:10.1038/nature01501 Peer Reviewed verified by ORBi |
Veithen, M., Ghosez, P., & Gonze, X. (07 March 2003). First-principles study of the electro-optic effect in lithium niobate [Paper presentation]. 2003 March Meeting of the American Physical Society, Austin, United States. |
Ghosez, P., & Junquera, J. (February 2003). Thickness dependence of the ferroelectric properties in perovskite ultra-thin films [Paper presentation]. Fundamental Physics of Ferroelectrics, Williamsburg, United States. |
Veithen, M., Ghosez, P., & Gonze, X. (February 2003). First-principles study of the electro-optic effect in lithium niobate [Poster presentation]. Fundamental Physics of Ferroelectrics, Williamsburg, United States. |
Veithen, M., Ghosez, P., & Gonze, X. (January 2003). First-principles study of the electro-optic effect in lithium niobate [Poster presentation]. XI international workshop on computational physics and materials science : total energy and force methods, Trieste, Italy. |
 | Junquera, J., Zimmer, M., Ordejon, P., & Ghosez, P. (2003). First-principles calculation of the band offset at BaO/BaTiO3 and SrO/SrTiO3 interfaces. Physical Review. B, Condensed Matter and Materials Physics, 67, 155327. doi:10.1103/PhysRevB.67.155327 Peer Reviewed verified by ORBi |
Junquera, J., & Ghosez, P. (January 2003). Effects of depolarizing fields in perovskite ferroelectrics ultrathrin films [Poster presentation]. XI international workshop on computational physics and materials science : total energy and force methods, Trieste, Italy. |
Szafraniak, I., Chu, M. W., Bhattacharyya, S., Alexe, M., Schneller, T., Roelofs, A., Petersen, S., Lehrer, C., Frey, L., Ghosez, P., Junquera, J., Kohlstedt, H., Rodriguez Contreras, J., Szot, K., & Waser, R. (2003). Nano-sized ferroelectric hybrids - towards the superparaelectric limit [Paper presentation]. VW Symposium : complex materials, Bremen, Germany. |
Junquera, J., & Ghosez, P. (December 2002). Critical thickness for ferroelectricity in perovskite ultrathin films [Paper presentation]. Symposium on Nanosized Materials, Liège, Belgium. |
Junquera, J., & Ghosez, P. (December 2002). First principles study of perovskite ferroelectrics ultrathin films [Paper presentation]. Fall Meeting of the MRS, Boston, United States. |
Junquera, J., Zimmer, M., & Ghosez, P. (December 2002). Band-offset at A'O/ABO3 interfaces [Paper presentation]. Fall Meeting of the MRS, Boston, United States. |
Veithen, M., Ghosez, P., & Gonze, X. (November 2002). The electrooptic effect in lithium niobate from first-principles [Poster presentation]. First international Abinit developer Workshop, Louvain-la-Neuve, Belgium. |
Veithen, M., Ghosez, P., & Gonze, X. (November 2002). The position operator in extended systems: Application to electron localization and non-linear optics [Paper presentation]. First international Abinit developer Workshop, Louvain-la-Neuve, Belgium. |
Zimmer, M., Junquera, J., & Ghosez, P. (November 2002). First-principles electronic study of metal/ferroelectric and insulator/ferroelectric heterostructures [Poster presentation]. First international Abinit developer Workshop, Louvain-la-Neuve, Belgium. |
Veithen, M., & Ghosez, P. (June 2002). First principles study of the electrooptic effect in ferroelectric oxides [Paper presentation]. Cost P8 kick off meeting, Berlin, Germany. |
Veithen, M., & Ghosez, P. (May 2002). Ground-state, dielectric and dynamical properties of lithium niobate from first principles [Poster presentation]. First DFT-GDR meeting, Rennes, France. |
Junquera, J., Zimmer, M., & Ghosez, P. (22 March 2002). Structural and electronic properties of nanosized ferroelectric hybrid structures [Paper presentation]. 2002 March Meeting of the Amercian Physical Society, Indianapolis, United States. |
 | Raty, J.-Y., Godlevsky, V. V., Gaspard, J.-P., Bichara, C., Bionducci, M., Bellissent, R., Ceolin, R., Chelikowsky, J. R., & Ghosez, P. (15 March 2002). Local structure of liquid GeTe via neutron scattering and ab initio simulations. Physical Review. B, Condensed Matter and Materials Physics, 65, 115205. doi:10.1103/PhysRevB.65.115205 Peer Reviewed verified by ORBi |
Veithen, M., Gonze, X., & Ghosez, P. (06 February 2002). Electron localization in lithium niobate [Paper presentation]. Fundamental Physics of Ferroelectrics, Washington, United States. |
Zimmer, M., Junquera, J., & Ghosez, P. (06 February 2002). Structural and electronic properties of nanosized ferroelectric films [Paper presentation]. Fundamental Physics of Ferroelectrics, Washington, United States. |
Junquera, J., Zimmer, M., & Ghosez, P. (12 January 2002). Structural and electronic properties of nanosized ferroelectric hybrid structures [Poster presentation]. Total energy Methods in Computational Condensed Matter, Tenerife, Spain. |
Ghosez, P. (2002). Fundamental Physics of Ferroelectrics From First-Principles : selected topics. (ULiège - Université de Liège). |
 | Veithen, M., & Ghosez, P. (2002). First-principles study of the dielectric and dynamical properties of lithium niobate. Physical Review. B, Condensed Matter and Materials Physics, 65, 214302. doi:10.1103/PhysRevB.65.214302 Peer Reviewed verified by ORBi |
 | Veithen, M., Gonze, X., & Ghosez, P. (2002). Electron localization: Band-by-band decomposition and application to oxides. Physical Review. B, Condensed Matter and Materials Physics, 66, 235113. doi:10.1103/PhysRevB.66.235113 Peer Reviewed verified by ORBi |
 | Gonze, X., Beuken, J. M., Caracas, R., Detraux, F., Fuchs, M., Rignanese, G. M., Sindic, L., Verstraete, M., Zerah, G., Jollet, F., Torrent, M., Roy, A., Mikami, M., Ghosez, P., Raty, J.-Y., & Allan, D. C. (2002). First-principles computation of material properties: the ABINIT software project. Computational Materials Science, 25 (3), 478-492. doi:10.1016/S0927-0256(02)00325-7 Peer Reviewed verified by ORBi |
 | Zimmer, M., Junquera, J., & Ghosez, P. (2002). Ab initio study of metal/ferroelectric and insulator/ferroelectric heterostructures. AIP Conference Proceedings, 626, 232. Peer Reviewed verified by ORBi |
 | Veithen, M., & Ghosez, P. (2002). Electron localization in lithium niobate. AIP Conference Proceedings, 626, 208. Peer Reviewed verified by ORBi |
Ghosez, P., & Zimmer, M. (November 2001). First-principles study of insulator/ferroelectric and metal/ferroelectric heterostructures [Paper presentation]. MRS fall meeting, Boston, United States. |
Ghosez, P. (2001). First principles study of ferroelectric thin films [Paper presentation]. VW Seminar, Germany. |
Zimmer, M., Junquera, J., & Ghosez, P. (October 2001). First-principles electronic study of metal/ferroelectric and insulator/ferroelectric heterostructures [Poster presentation]. CECAM workshop on "Oxide Metal Interfaces", Lyon, France. |
Ghosez, P., & Zimmer, M. (15 September 2001). First-principles study of ferroelectric thin films [Paper presentation]. Thermodynamic and structural properties of Materials, Avignon, France. |
Rabe, K. M., & Ghosez, P. (16 March 2001). First-principles model for dielectric response of ultrathin, perovskite films [Paper presentation]. 2001 March Meeting of the American Physical Society, Seattle, United States. |
Ghosez, P. (01 February 2001). A microscopic model of ferroelectricity in PbTiO3 ultra thin films [Paper presentation]. Laboratorio de Materiales, Bilbao, Spain. |
Ghosez, P., & Rabe, K. M. (13 January 2001). A Microscopic Model of Ferroelectricity in PbTiO3 Ultra Thin Films [Poster presentation]. 10th International Workshop on Computational Material Sciences : Total energy and Force Methods, Trieste, Italy. |
Raty, J.-Y., Godlevsky, V., Ghosez, P., Bichara, C., Gaspard, J.-P., & Chelikovsky, J. (13 January 2001). Evidence of a reentrant Peierls distortion in liquid GeTe [Poster presentation]. 10th International Workshop on Computational Material Sciences : Total energy and Force Methods, Trieste, Italy. Editorial reviewed |
Zimmer, M., & Ghosez, P. (13 January 2001). First-principles study of SrRuO3 [Poster presentation]. 10th International Workshop on Computational Material Sciences : Total energy and Force Methods, Trieste, Italy. |
 | Raty, J.-Y., Godlevsky, V. V., Gaspard, J.-P., Bichara, C., Bionducci, M., Bellissent, R., Ceolin, R., Chelikowsky, J. R., & Ghosez, P. (2001). Distance correlations and dynamics of liquid GeSe: An ab initio molecular dynamics study. Physical Review. B, Condensed Matter and Materials Physics, 64, 235209. doi:10.1103/PhysRevB.64.235209 Peer Reviewed verified by ORBi |
Zimmer, M., Junquera, J., & Ghosez, P. (2001). First-principles electronic study of metal/ferroelectric and insulator/ferroelectric heterostructures [Paper presentation]. Oxide Metal Interfaces Workshop, Lyon, France. |
Ghosez, P., & Rabe, K. M. (21 December 2000). A Microscopic Model of Ferroelectricity in PbTiO3 Thin Films [Paper presentation]. Condensed Matter and Materials Physics (CMMP), Bristol, United Kingdom. |
Ghosez, P. (2000). A microscopic model of ferroelectricity in PbTiO3 ultra thin films [Paper presentation]. Institut für Elektrokeramische Materialien, Forschungszentrum Jülich, Germany. |
Rabe, K. M., & Ghosez, P. (28 April 2000). Microscopic effective Hamiltonians for ferroelectrics from first principles [Paper presentation]. MRS Spring meeting (O2-5), San Francisco, United States. |
Raty, J.-Y., Gaspard, J.-P., Ghosez, P., Bichara, C., Chelikowsky, J., & Godlevsky, V. (24 March 2000). Structure and dynamics of liquid GeTe : Evidence for a reentrant Peierls distortion [Paper presentation]. 2000 March meeting of the American Physical Society, Minneapolis, United States. Editorial reviewed |
Ghosez, P. (20 February 2000). First-principles study of lattice instabilities in BaxSr(1-x)TiO3 [Paper presentation]. Fundamental Physics of Ferroelectrics, Aspen Center for Physics, Aspen, United States. |
Ghosez, P., & Rabe, K. M. (2000). Microscopic model of ferroelectricity in stress-free PbTiO3 ultrathin films. Applied Physics Letters, 76 (19), 2767-2769. doi:10.1063/1.126469 Peer Reviewed verified by ORBi |
Ghosez, P., Desquesnes, D., Gonze, X., & Rabe, K. M. (2000). First Principles Study of the lattice instabilities in BaxSr1-xTiO3. AIP Conference Proceedings, 535, 102. Peer Reviewed verified by ORBi |
 | Raty, J.-Y., Godlevsky, V., Ghosez, P., Bichara, C., Gaspard, J.-P., & Chelikowsky, J. R. (2000). Evidence of a reentrant Peierls distortion in liquid GeTe [letter to the editor]. Physical Review Letters, 85 (9), 1950-1953. doi:10.1103/PhysRevLett.85.1950 Peer Reviewed verified by ORBi |
Ghosez, P., & Gonze, X. (2000). Band-by-band decompositions of the Born effective charges. Journal of Physics: Condensed Matter, 12 (43), 9179-9188. doi:10.1088/0953-8984/12/43/308 Peer Reviewed verified by ORBi |
Rabe, K. M., & Ghosez, P. (2000). Ferroelectricity in PbTiO3 thin films: A first principles approach. Journal of Electroceramics, 4 (2-3), 379-383. doi:10.1023/A:1009991332731 Peer Reviewed verified by ORBi |
Gonze, X., Caracas, R., Sonnet, R., Detraux, F., Ghosez, P., Noiret, I., & Schamps, J. (2000). First-principle study of crystals exhibiting an incommensurate phase transition. AIP Conference Proceedings, 535, 163. doi:10.1063/1.1324453 Peer Reviewed verified by ORBi |
Rabe, K. M., & Ghosez, P. (03 December 1999). A Microscopic Model of Ferroelectricity in PbTiO3 Thin Films [Paper presentation]. MRS fall meeting, Boston, United States. |
Ghosez, P. (03 December 1999). Constructions d'Hamiltoniens effectifs ab initio pour l'étude des transitions structurales en température : le cas du BaTiO3 [Paper presentation]. Laboratoire de physico-chimie et physique des matériaux, Louvain-la-Neuve, Belgium. |
Rabe, K. M., & Ghosez, P. (03 December 1999). Microscopic effective Hamiltonians for ferroelectrics from first principles [Paper presentation]. MRS fall meeting, Boston, United States. |
Ghosez, P. (28 April 1999). First principles study of the lattice dynamics and finite temperature properties of various ABO3 compounds [Paper presentation]. Laboratoire de Chimie Théorique, Paris, France. |
Ghosez, P. (26 April 1999). First principles study of the lattice dynamics and finite temperature properties of various ABO3 compounds [Paper presentation]. Laboratoire PHLAM, Lille, France. |
Ghosez, P., Cockayne, E., Waghmare, U. V., & Rabe, K. M. (1999). Lattice dynamics of BaTiO3, PbTiO3 and PbZrO3: a comparative first-principles study. Bulletin of the American Physical Society. Peer reviewed |
Rabe, K. M., & Ghosez, P. (26 March 1999). Ferroelectricity in PbTiO thin Films: a First-Principles Approach [Paper presentation]. 1999 March meeting of the American Physical Society, Atlanta, United States. |
Ghosez, P., Waghmare, U. V., & Rabe, K. M. (1999). Temperature dependent dielectric, piezoelectric and pyroelectric response of barium titanate from first-principles. Bulletin of the American Physical Society. Peer reviewed |
Ghosez, P. (05 March 1999). Le titane de barym : étude ab initio des transitions structurales et phénomènes associés [Paper presentation]. Département de Physique, Liège, Belgium. |
Cockayne, E., Ghosez, P., Rabe, K. M., & Russo, V. (1999). First-principles effective Hamiltonian for PbZrO3. Bulletin of the American Physical Society. Peer reviewed |
Ghosez, P., Gonze, X., & Michenaud, J. P. (1999). First-principles characterization of the four phases of barium titanate. Ferroelectrics, 220 (1-2), 1-15. doi:10.1080/00150199908007992 Peer Reviewed verified by ORBi |
Ghosez, P., Cockayne, E., Waghmare, U. V., & Rabe, K. M. (1999). Lattice dynamics of BaTiO3, PbTiO3, and PbZrO3: A comparative first-principles study. Physical Review. B, Condensed Matter, 60 (2), 836-843. doi:10.1103/PhysRevB.60.836 Peer Reviewed verified by ORBi |
Rabe, K. M., & Ghosez, P. (December 1998). Ferroelectricity in PbTiO thin Films: a First-Principles Approach [Paper presentation]. 1998 meeting of the Electroceramics Society MD, United States. |
Gonze, X., Ghosez, P., & Godby, R. W. (07 October 1998). The Physics of Born effective charges in large clusters and periodic solids [Paper presentation]. CECAM workshop on "Electronic response functions in atoms, molecules and solids", Lyon, France. |
Ghosez, P. (05 July 1998). Role of the macroscopic polarization in the Kohn-Sham theory of periodic systems [Paper presentation]. The Physics of Insulators, Aspen, United States. |
Ghosez, P., Lambin, P., & Gonze, X. (01 June 1998). The concept of dynamical atomic charge in molecules solids and periodic systems [Poster presentation]. Tenth annual workshop on recent developments in electronic structure algorithms, Philadelphia, United States. |
Ghosez, P., Gonze, X., & Godby, R. W. (04 February 1998). Role of the macroscopic polarization in the Kohn-Sham theory of periodic systems [Paper presentation]. 5th Williamsburg Workshop on First-Principles Calculations for Ferroelectrics, Williamsburg, United States. |
Ghosez, P., Gonze, X., & Michenaud, J. P. (1998). Interplay between the electronic and dynamical properties of barium titanate. In Advanced in Computational Materials Science - II. Peer reviewed |
Ghosez, P., Michenaud, J. P., & Gonze, X. (1998). Dynamical atomic charges: The case of ABO(3) compounds. Physical Review. B, Condensed Matter, 58 (10), 6224-6240. doi:10.1103/PhysRevB.58.6224 Peer Reviewed verified by ORBi |
Ghosez, P., Gonze, X., & Michenaud, J. P. (1998). Ab initio phonon dispersion curves and interatomic force constants of barium titanate. Ferroelectrics, 206 (1-4), 205-217. doi:10.1080/00150199808009159 Peer Reviewed verified by ORBi |
Detraux, F., Ghosez, P., & Gonze, X. (1998). Long-range Coulomb interaction in ZrO2. Physical Review Letters, 81 (15), 3297-3297. doi:10.1103/PhysRevLett.81.3297 Peer Reviewed verified by ORBi |
Ghosez, P., Gonze, X., & Godby, R. W. (23 September 1997). The long-wavelength behaviour of the exchange-correlation kernel in the Kohn-Sham theory of periodic systems [Paper presentation]. 7th Italian-Swiss Workshop on Computational Materials Science (ISW-7), Santa Margherita di Pula, Italy. |
Ghosez, P. (23 September 1997). Interplay between the electronic and dynamical properties of barium titanate [Paper presentation]. 7th Italian-Swiss Workshop on Computational Materials Science (ISW-7), Santa Margherita di Pula, Italy. |
Ghosez, P. (09 July 1997). Méthode ab inition (fonctionnelle de la densité) appliquée au titanate de baryum. GDR-1208 Liaison chimique dans le solide [Paper presentation]. Faculté des Sciences et techniques, Tours, France. |
Ghosez, P., Gonze, X., & Michenaud, J.-P. (05 July 1997). Interplay between the electronic and dynamical properties of barium titanate [Paper presentation]. CECAM workshop on "First-principles theory of ferroelectric materials", Lyon, France. |
Gonze, X., Ghosez, P., & Godby, R. W. (02 June 1997). Kohn-Sham theory of polar insulators [Paper presentation]. 9th Annual Workshop on Recent Developments in Electronic Structure Methods (ES97), Ithaca, United States. |
Detraux, F., Ghosez, P., & Gonze, X. (March 1997). Giant Born effective charges in cubic WO3 [Poster presentation]. 1997 March Meeting of the American Physical Society, Kansas City, United States. |
Ghosez, P., Gonze, X., & Michenaud, J.-P. (March 1997). Phonon band structure and interatomic force constants of barium titanate [Poster presentation]. 1997 March Meeting of the American Physical Society, Kansas City, United States. |
Ghosez, P., Gonze, X., & Michenaud, J.-P. (05 February 1997). Phonon dispersion curves and interatomic force constants of barium titanate [Paper presentation]. 1997 Williamsburg Workshop on Ferroelectricity, Williamsburg, United States. |
Detraux, F., Ghosez, P., & Gonze, X. (11 January 1997). Giant Born effective charges in cubic WO3 [Poster presentation]. 8th International Workshop on Computational Condensed Matter Physics, Trieste, Italy. |
Gonze, X., Ghosez, P., & Godby, R. W. (1997). Density-polarization functional theory. In ICTP Abstract book H4.SMR.985, T13. Peer reviewed |
Ghosez, P., Gonze, X., & Michenaud, J.-P. (11 January 1997). Phonon band structure and interatomic force constants of barium titanate [Poster presentation]. 8th International Workshop on Computational Condensed Matter Physics, Trieste, Italy. |
Ghosez, P. (1997). First-principles study of the dielectric and dynamical properties of barium titanate [Doctoral thesis, UCL - Université Catholique de Louvain]. ORBi-University of Liège. https://orbi.uliege.be/handle/2268/31206 |
Detraux, F., Ghosez, P., & Gonze, X. (1997). Anomalously large Born effective charges in cubic WO3. Physical Review. B, Condensed Matter, 56 (3), 983-985. doi:10.1103/PhysRevB.56.983 Peer Reviewed verified by ORBi |
Gonze, X., Ghosez, P., & Godby, R. W. (1997). Polarization dependence of the exchange energy. Physical Review Letters, 78 (10), 2029-2029. doi:10.1103/PhysRevLett.78.2029 Peer Reviewed verified by ORBi |
Ghosez, P., Gonze, X., & Godby, R. W. (1997). Long-wavelength behavior of the exchange-correlation kernel in the Kohn-Sham theory of periodic systems. Physical Review. B, Condensed Matter, 56 (20), 12811-12817. doi:10.1103/PhysRevB.56.12811 Peer Reviewed verified by ORBi |
Gonze, X., Ghosez, P., & Godby, R. W. (1997). Density-functional theory of polar insulators. Physical Review Letters, 78 (2), 294-297. doi:10.1103/PhysRevLett.78.294 Peer Reviewed verified by ORBi |
Gonze, X., Ghosez, P., & Godby, R. W. (1997). Kohn-Sham theory of polar insulators [Paper presentation]. CECAM workshop on "First-principles theory of ferroelectric materials", Lyon, France. |
Ghosez, P., Gonze, X., & Michenaud, J. P. (1997). Lattice dynamics and ferroelectric instability of barium titanate. Ferroelectrics, 194, 39-54. doi:10.1080/00150199708016081 Peer Reviewed verified by ORBi |
Ghosez, P., Gonze, X., & Godby, R. W. (21 September 1996). Exchange-correlation electric fields in density functional theory of insulators [Paper presentation]. Ab initio calculation of complex processes in materials Yk network conference, Schwäbisch Gmünd, Germany. |
Ghosez, P. (04 September 1996). Ab initio study of barium titanate : the Born effective charges and their role in the ferroelectric instability [Paper presentation]. Department of physics of the University of York. Invited seminar, York, United Kingdom. |
Ghosez, P., Gonze, X., & Michenaud, J.-P. (03 July 1996). Lattice dynamics and ferroelectric instability of barium titanate [Paper presentation]. CECAM workshop on "Ab initio phonons", Lyon, France. |
Ghosez, P. (June 1996). Etude "ab initio" du titane de baryum : les charges effectives de Born et leurs rôles dans l'instabilité ferroélectrique [Paper presentation]. Laboratoire PCPM, UCL. Invited Seminar, Louvain-la-Neuve, Belgium. |
Ghosez, P. (20 May 1996). Etude "ab initio" du titane de baryum : les charges effectives de Born et leurs rôles dans l'instabilité ferroélectrique [Paper presentation]. Laboratoire de dynamique moléculaire et photonique, UFR de Physique. Invited seminar, Lille, France. |
Gonze, X., Ghosez, P., & Godby, R. W. (25 April 1996). Density functional theory of insulators: exchange-correlation electric fields [Poster presentation]. European Physical Society : 15th General Conference of the Condensed Matter Division, Baveno-Stresa, Italy. |
Ghosez, P., Gonze, X., & Michenaud, J.-P. (1996). Competing role of the Coulomb and short-range interactions in the structural instabilities of barium and strontium titanates. In Europhysics Conference Abstracts. Peer reviewed |
Gonze, X., Ghosez, P., & Godby, R. W. (22 March 1996). Density functional theory of insulators: exchange-correlation electric fields [Poster presentation]. 1996 March Meeting of the American Physical Society, St Louis, United States. |
Ghosez, P., Gonze, X., & Michenaud, J.-P. (07 February 1996). Lattice dynamics study of BaTiO3: Competing role of the Coulomb and short-range interactions in the ferroelectric instability [Paper presentation]. Fourth Williamsburg Workshop on First Principles Calculations for Ferroelectricity, Williamsburg, United States. |
Ghosez, P., Gonze, X., & Michenaud, J. P. (1996). Role of the Coulomb interaction on the ferroelectric instability of Barium Titanate. Ferroelectrics, 186, 73-76. doi:10.1080/00150199608218036 Peer Reviewed verified by ORBi |
Ghosez, P., Gonze, X., & Michenaud, J. P. (1996). Coulomb interaction and ferroelectric instability of BaTiO3. Europhysics Letters, 33 (9), 713-718. doi:10.1209/epl/i1996-00404-8 Peer Reviewed verified by ORBi |
Ghosez, P., Gonze, X., & Michenaud, J.-P. (1996). Coulomb interaction and ferroelectric instability of barium titanate [Poster presentation]. 1996 March Meeting of the American Physical Society, St Louis, United States. |
Gonze, X., Ghosez, P., & Godby, R. W. (December 1995). Density-Polarization functional theory of the dielectric response of solids [Paper presentation]. Condensed Matter and Materials Physics meeting, Liverpool, United Kingdom. |
Ghosez, P., Gonze, X., & Michenaud, J.-P. (27 October 1995). A study of barium titanate using the density functional theory [Poster presentation]. Quantum Chemistry in Belium : current aspects and trends for the future, Namur, Belgium. |
Ghosez, P. (13 July 1995). Density-Polarization Functional Theory: the case of a one-dimentional model semiconductor [Paper presentation]. CECAM workshop on "First-principles Theory of Polarization, Fields and Currents in Insulators", Lyon, France. |
Ghosez, P. (13 July 1995). Mechanisms of Polarization in Ferroelectric Barium Titanate [Paper presentation]. CECAM workshop on "First-principles Theory of Polarization, Fields and Currents in Insulators", Lyon, France. |
Ghosez, P., Gonze, X., & Michenaud, J.-P. (08 July 1995). Ab-initio study of dielectric and dynamical properties of BaTiO3 [Poster presentation]. 8th European meeting of Ferroelectricity, Nijmegen, Netherlands. |
Rignanese, G.-M., Ghosez, P., Charlier, J.-C., Michenaud, J.-P., & Gonze, X. (22 May 1995). Correction to total energy and stresses in plane-wave based ab initio calculations [Poster presentation]. 7th Annual Workshop on Recent Developpements in Electronic Structures Algorithms, St Mary's city, United States. |
Ghosez, P., Gonze, X., Lambin, P., & Michenaud, J.-P. (22 May 1995). Born effective charges and dielectric tensors in the four phases of Barium Titanate [Poster presentation]. 7th Annual Workshop on Recent Developpements in Electronic Structures Algorithms, St Mary's city, United States. |
Ghosez, P. (11 April 1995). Computation of dynamical and dielectric properties of solids [Paper presentation]. Facultés Universitaires Notre Dame de la Paix, Namur. Invited seminar, Namur, Belgium. |
Ghosez, P., Gonze, X., Lambin, P., & Michenaud, J.-P. (24 March 1995). Born effective charges and dielectric tensors in the four phases of Barium Titanate. Bulletin of the American Physical Society, 40 (473). |
Rignanese, G.-M., Ghosez, P., Charlier, J.-C., Michenaud, J.-P., & Gonze, X. (24 March 1995). Correction to total energy and stresses in plane-wave based ab initio calculations [Poster presentation]. 1995 March meeting of the American Physical Society, San Jose, United States. |
Gonze, X., Ghosez, P., & Godby, R. W. (24 March 1995). Density polarization functional theory of the response of a periodic insulating solid to an electric field [Poster presentation]. 1995 March meeting of the American Physical Society, San Jose, United States. |
Ghosez, P., Gonze, X., Lambin, P., & Michenaud, J.-P. (24 March 1995). Interatomic force constants and phonon frequencies of cubic Barium Titanate [Poster presentation]. 1995 March meeting of the American Physical Society, San Jose, United States. |
Rignanese, G.-M., Ghosez, P., Charlier, J.-C., Michenaud, J.-P., & Gonze, X. (15 January 1995). Correction to total energy and stresses in plane-wave based ab initio calculations [Poster presentation]. 7th International Workshop on Computational Condensed Matter Physics, Trieste, Italy. |
Ghosez, P., Gonze, X., Lambin, P., & Michenaud, J.-P. (15 January 1995). Interatomic force constants and phonon frequencies of cubic Barium Titanate [Poster presentation]. 7th International Workshop on Computational Condensed Matter Physics, Trieste, Italy. |
Gonze, X., Ghosez, P., & Godby, R. W. (15 January 1995). Density polarization functional theory of the response of a periodic insulating solid to an electric field [Poster presentation]. 7th International Workshop on Computational Condensed Matter Physics, Trieste, Italy. |
Ghosez, P., Gonze, X., Lambin, P., & Michenaud, J.-P. (15 January 1995). Born effective charges and dielectric tensors in the four phases of Barium Titanate [Poster presentation]. 7th International Workshop on Computational Condensed Matter Physics, Trieste, Italy. |
GONZE, X., Ghosez, P., & GODBY, R. W. (1995). DENSITY-POLARIZATION FUNCTIONAL THEORY OF THE RESPONSE OF A PERIODIC INSULATING SOLID TO AN ELECTRIC-FIELD. Physical Review Letters, 74 (20), 4035-4038. doi:10.1103/PhysRevLett.74.4035 Peer Reviewed verified by ORBi |
Ghosez, P., Gonze, X., & Michenaud, J. P. (1995). A microscopic study of barium titanate. Ferroelectrics, 164, 113-121. doi:10.1080/00150199508221833 Peer Reviewed verified by ORBi |
RIGNANESE, G. M., Ghosez, P., CHARLIER, J. C., MICHENAUD, J. P., & GONZE, X. (1995). SCALING HYPOTHESIS FOR CORRECTIONS TO TOTAL-ENERGY AND STRESS IN PLANE-WAVE-BASED AB-INITIO CALCULATIONS. Physical Review. B, Condensed Matter, 52 (11), 8160-8178. doi:10.1103/PhysRevB.52.8160 Peer Reviewed verified by ORBi |
Ghosez, P., GONZE, X., LAMBIN, P., & MICHENAUD, J. P. (1995). BORN EFFECTIVE CHARGES OF BARIUM-TITANATE - BAND-BY-BAND DECOMPOSITION AND SENSITIVITY TO STRUCTURAL FEATURES. Physical Review. B, Condensed Matter, 51 (10), 6765-6768. doi:10.1103/PhysRevB.51.6765 Peer Reviewed verified by ORBi |
Ghosez, P., Gonze, X., Beuken, J.-M., & Michenaud, J.-P. (12 August 1994). First principles calculations of electronic, dielectric and dynamic properties of Barium Titanate [Poster presentation]. Sagamore IX Conference : Charge, spin and momentum densities, Brest, France. |
Ghosez, P. (May 1994). Ab-initio study of dielectric and dynamical properties of BaTiO3. Physique de la matière condensée : propriétés diélectriques et dynamiques des solides cristallins [Paper presentation]. UCL PHYS 3915. Invited seminar, Louvain-la-Neuve, Belgium. |
Gonze, X., Ghosez, P., Michenaud, J.-P., & Lee, C. (1994). Response to an electric field in BaTiO3, SiO2 and TiO2 : analysis of the Born effective charges. In Bull. Am. Phys. Soc. Peer reviewed |
Ghosez, P., Gonze, X., & Michenaud, J.-P. (09 February 1994). A microscopic study of Barium Titanate [Paper presentation]. Third Williamsburg Workshop on First Principles Calculations for Ferroelectricity, Williamsburg, United States. |
Ghosez, P. (20 January 1994). A microscopic study of Barium Titanate [Paper presentation]. Facultés Universitaires Notre Dame de la Paix, Namur. Invited seminar, Namur, Belgium. |
Ghosez, P., Gonze, X., & Michenaud, J. P. (1994). First-principles calculations of dielectric and effective charge tensors in Barium Titanate. Ferroelectrics, 153, 91-96. doi:10.1080/00150199408016548 Peer Reviewed verified by ORBi |
LEE, C., Ghosez, P., & GONZE, X. (1994). LATTICE-DYNAMICS AND DIELECTRIC-PROPERTIES OF INCIPIENT FERROELECTRIC TIO2 RUTILE. Physical Review. B, Condensed Matter, 50 (18), 13379-13387. doi:10.1103/PhysRevB.50.13379 Peer Reviewed verified by ORBi |
Ghosez, P., Gonze, X., & Michenaud, J.-P. (August 1993). First principle calculations of dielectric and effective charge tensors in Barium Titanate [Poster presentation]. 8th International Meeting on Ferroelectricity, Gaithersburg, United States. |
Dodelet, J.-P., Côté, R., Ghosez, P., & Gastonguay, L. (August 1993). Conditions required to obtain highly photoactive phtalocyanines [Poster presentation]. Sixth Symposium on Unconventional Photoactive Solids, Louvain, Belgium. |
Ghosez, P. (01 June 1993). Ab initio study of barium titanate [Paper presentation]. Laboratoire PCPM, UCL. Invited seminar, Louvain-la-Neuve, Belgium. |
Ghosez, P., Charlier, J.-C., Gonze, X., & Michenaud, J.-P. (May 1993). A pseudopotential study of BaTiO3 [Poster presentation]. Sixth SCF Users Group Meeting, Namur, Belgium. |
Ghosez, P., Charlier, J.-C., Gonze, X., & Michenaud, J.-P. (02 April 1993). First principles study of the structural instabilities in BaTiO3 [Paper presentation]. 13th General Conference of the Condensed Matter Division of the European Physical Society, Regensburg, Germany. |
Ghosez, P., COTE, R., GASTONGUAY, L., VEILLEUX, G., DENES, G., & DODELET, J. P. (1993). CHARACTERIZATION OF A HIGHLY PHOTOACTIVE MOLECULAR SEMICONDUCTOR - OXOTITANIUM PHTHALOCYANINE. Chemistry of Materials, 5 (10), 1581-1590. doi:10.1021/cm00034a032 Peer Reviewed verified by ORBi |
Ghosez, P., Charlier, J.-C., Gonze, X., & Michenaud, J.-P. (January 1993). A pseudopotential study of BaTiO3 [Poster presentation]. Sixth International Workshop on Condensed Matter Physics, Trieste, Italy. |
