  | Tellez-Mora, A., He, X., Bousquet, E., Wirtz, L., & Romero, A. (23 January 2024). Systematic determination of a material’s magnetic ground state from first principles. npj Computational Materials, 10 (1), 20. doi:10.1038/s41524-024-01202-z  Peer Reviewed verified by ORBi |
 | Bousquet, E., Lelièvre-Berna, E., Qureshi, N., Soh, J.-R., Spaldin, N. A., Urru, A., Verbeek, X. H., & Weber, S. F. (12 January 2024). On the sign of the linear magnetoelectric coefficient in Cr2O3. Journal of Physics: Condensed Matter, 36 (15), 155701. doi:10.1088/1361-648X/ad1a59 Peer Reviewed verified by ORBi |
 | Fava, M., Lafargue-Dit-Hauret, W., Romero, A., & Bousquet, E. (2024). Ferroelectricity and chirality in the Pb$_5$Ge$_3$O$_{11}$ crystal. Physical Review. B, Condensed Matter and Materials Physics. doi:10.1103/PhysRevB.109.024113 Peer Reviewed verified by ORBi |
  | Fava, M., Lafargue-Dit-Hauret, W., Romero, A., & Bousquet, E. (14 November 2023). Large and tunable spin-orbit effect of 6p orbitals through structural cavities in crystals. Physical Review. B, 108 (20), 201112. doi:10.1103/physrevb.108.l201112 Peer Reviewed verified by ORBi |
 | 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 |
 | Bouvier, P., Sasani, A., Bousquet, E., Guennou, M., & Moreira, J. A. (February 2023). Lattice dynamics and Raman spectrum of supertetragonal PbVO3. Journal of Physics and Chemistry of Solids, 173, 111092. doi:10.1016/j.jpcs.2022.111092 Peer Reviewed verified by ORBi |
 | Galvis, J. A., Fang, A., Jiménez-Guerrero, D., Rojas-Castillo, J., Casas, J., Herrera, O., Garcia-Castro, A. C., Bousquet, E., Fisher, I. R., Kapitulnik, A., & Giraldo-Gallo, P. (January 2023). Nanoscale phase-slip domain walls in the charge density wave state of the Weyl semimetal candidate NbTe4. Physical Review. B, 107, 045120. doi:10.1103/PhysRevB.107.045120 Peer reviewed |
 | Scott, E. A. S., Mitoudi Vagourdi, E., Johnsson, M., Cascos, V., John, F., Pickup, D., Chadwick, A. V., Djani, H., Bousquet, E., Zhang, W., Halasyamani, P. S., & McCabe, E. E. (08 November 2022). Bi2CoO2F4 - A Polar, Ferrimagnetic Aurivillius Oxide-Fluoride. Chemistry of Materials, 34 (21), 9775 - 9785. doi:10.1021/acs.chemmater.2c02745 Peer Reviewed verified by ORBi |
 | Tanner, D., Pierre-Eymeric, J., & Bousquet, E. (15 August 2022). Strain-engineered divergent electrostriction in KTaO3. Physical Review. B, 106, 060102. doi:10.1103/PhysRevB.106.L060102 Peer Reviewed verified by ORBi |
 | Sasani, A., Íñiguez, J., & Bousquet, E. (February 2022). Origin of nonlinear magnetoelectric response in rare-earth orthoferrite perovskite oxides. Physical Review. B, 105 (6). doi:10.1103/PhysRevB.105.064414 Peer Reviewed verified by ORBi |
 | Wuttig, M., Schön, C.-F., Schumacher, M., Robertson, J., Golub, P., Bousquet, E., Gatti, C., & Raty, J.-Y. (2022). Halide Perovskites: Advanced Photovoltaic Materials Empowered by a Unique Bonding Mechanism. Advanced Functional Materials, 32 (2), 2110166. doi:10.1002/adfm.202110166 Peer Reviewed verified by ORBi |
 | Benomar, S., Bousquet, E., & Djani, H. (2022). Multianion induced out-of-plane proper polarization in oxyfluoride Aurivillius Bi2TiO4F2. Journal of Physics and Chemistry of Solids, 167, 110720. doi:10.1016/j.jpcs.2022.110720 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 |
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 |
 | 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 |
 | Garcia-Castro, A. C., Ma, Y., Romestan, Z., Bousquet, E., Cen, C., & Romero, A. (2022). Engineering of Ferroic Orders in Thin Films by Anionic Substitution. Advanced Functional Materials, 32 (2), 2107135. doi:10.1002/adfm.202107135 Peer Reviewed verified by ORBi |
 | Sasani, A., Iniguez, J., & Bousquet, E. (17 August 2021). Magnetic phase diagram of rare-earth orthorhombic perovskite oxides. Physical review B, 104 (6), 064431-064446. doi:10.1103/PhysRevB.104.064431 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 |
 | Tanner, D., Bousquet, E., & Janolin, P.-E. (2021). Optimized Methodology for the Calculation of Electrostriction from First-Principles. Small, 2103419. doi:10.1002/smll.202103419 Peer reviewed |
 | Bousquet, E., & Cano, A. (2021). Non-collinear magnetism & multiferroicity: the perovskite case. Physical Sciences Reviews. doi:10.1515/psr-2019-0071 Peer reviewed |
 | Afanasiev, D., Hortensius, J. R., Ivanov, B. A., Sasani, A., Bousquet, E., Blanter, Y. M., Mikhaylovskiy, R. V., Kimel, A. V., & Caviglia, A. D. (2021). Ultrafast control of magnetic interactions via light-driven phonons. Nature Materials, 20, 607. doi:10.1038/s41563-021-00922-7 Peer Reviewed verified by ORBi |
 | He, X., Helbig, N., Verstraete, M., & Bousquet, E. (2021). TB2J: a python package for computing magnetic interaction parameters. Computer Physics Communications, 107938. doi:10.1016/j.cpc.2021.107938 Peer Reviewed verified by ORBi |
 | 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 |
 | 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 |
 | Hortensius, J. R., Afanasiev, D., Sasani, A., Bousquet, E., & Caviglia, A. D. (2020). Ultrafast strain engineering and coherent structural dynamics from resonantly driven optical phonons in LaAlO3. npj Quantum Materials, 5, 95. doi:10.1038/s41535-020-00297-z 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 |
 | Popov, M. N., Spitaler, J., Veerapandiyan, V. K., Bousquet, E., Hlinka, J., & Deluca, M. (2020). Raman spectra of fine-grained materials from first principles. npj Computational Materials, 6, 121. doi:10.1038/s41524-020-00395-3 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 |
 | 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 |
 | Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F., & Romero, A. (2020). PyProcar: A Python library for electronic structure pre/post-processing. Computer Physics Communications, 251, 107080. doi:10.1016/j.cpc.2019.107080 Peer Reviewed verified by ORBi |
 | Cascos, V. A., Roberts-Watts, J., Skingle, C., Levin, I., Zhang, W., Halasyamani, P. S., Stennett, M. C., Hyatt, N. C., Bousquet, E., & Mc Cabe, E. (2020). Tuning between Proper and Hybrid-Improper Mechanisms for Polar Behavior in CsLn2Ti2NbO10 Dion-Jacobson Phases. Chemistry of Materials, 32, 8700. doi:10.1021/acs.chemmater.0c03326 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. |
 | Mukherjee, D., Prokhorenko, S., Miao, L., Wang, K., Bousquet, E., Gopalan, V., & Alem, N. (03 September 2019). Atomic-scale measurement of polar entropy. Physical Review. B, Condensed Matter, 100, 104102. doi:10.1103/PhysRevB.100.104102 Peer Reviewed verified by ORBi |
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. |
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. |
 | Beqiri, D., Cascos, V., Roberts-Watts, J., Clark, E. R., Bousquet, E., Bristowe, N., & McCabe, E. (2019). Tuning octahedral tilts and the polar nature of A-site deficient perovskites. Chemical Communications, 55 (18), 2609. doi:10.1039/c8cc10126d Peer Reviewed verified by ORBi |
 | Zhang, B., He, X., Zhao, J., Yu, C., Wen, H., Meng, S., Bousquet, E., Li, Y., Ge, C., Jin, K., Tao, Y., & Guo, H. (2019). Giant photoinduced lattice distortion in oxygen vacancy ordered SrCoO2.5 thin films. Physical Review. B, Condensed Matter, 100, 144201. doi:10.1103/PhysRevB.100.144201 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 |
 | Ricci, F., Prokhorenko, S., Torrent, M., Verstraete, M., & Bousquet, E. (2019). Density functional perturbation theory within noncollinear magnetism. Physical Review. B, 99, 184404. doi:10.1103/PhysRevB.99.184404 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 |
 | Liu, J., Jia, E., Wang, L., Stoerzinger, K. A., Zhou, H., Tang, C. S., Yin, X., He, X., Bousquet, E., Bowden, M. E., Wee, A. T. S., Chambers, S. A., & Du, Y. (2019). Tuning the Electronic Structure of LaNiO3 through Alloying with Strontium to Enhance Oxygen Evolution Activity. Advanced Science, 6, 1901073. doi:10.1002/advs.201901073 Peer Reviewed verified by ORBi |
 | Payne, A., Avedano-Franco, G., He, X., Bousquet, E., & Romero, A. H. (2019). Optimizing the orbital occupation in the multiple minima problem of magnetic materials from the metaheuristic firefly algorithm. Physical Chemistry Chemical Physics, 21, 21932. doi:10.1039/C9CP03618K 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 |
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. |
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. |
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. |
 | García Castro, A. C., Ibarra Hernández, W., Bousquet, E., & Romero, A. (September 2018). Direct magnetization-polarization coupling in BaCuF4. Physical Review Letters, 121, 117601. doi:10.1103/PhysRevLett.121.117601 Peer Reviewed verified by ORBi |
 | Payne, A., Avendaño-Franco, G., Bousquet, E., & Romero, A. (02 July 2018). Firefly Algorithm Applied to Noncollinear Magnetic Phase Materials Prediction. Journal of Chemical Theory and Computation, 14, 4455. doi:10.1021/acs.jctc.8b00404 Peer Reviewed verified by ORBi |
 | 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. |
 | Setten, M. J. V., Giantomassi, M., Bousquet, E., Verstraete, M., Hamann, D. R., Gonze, X., & Rignanese, G.-M. (2018). The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table. Computer Physics Communications. doi:10.1016/j.cpc.2018.01.012 Peer Reviewed verified by ORBi |
 | Cherair, I., Bousquet, E., Schmitt, M., Iles, N., & Kellou, A. (2018). First-principles study of strain-induced Jahn-Teller distortions in BaFeO3. Journal of Physics: Condensed Matter, 30 (25). doi:10.1088/1361-648X/aac46d Peer Reviewed verified by ORBi |
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. |
 | Ming Yang, A. K., García Castro, A. C., Borisov, P., Bousquet, E., Lederman, D., Romero, A. H., & Cen, C. (August 2017). Room temperature ferroelectricity in fluoroperovskite thin films. Scientific Reports, 7, 7182. doi:10.1038/s41598-017-07834-0 Peer Reviewed verified by ORBi |
 | Qiu, R., Bousquet, E., & Cano, A. (June 2017). Pressure-induced insulator–metal transition in EuMnO3. Journal of Physics: Condensed Matter, 29, 305801. doi:10.1088/1361-648X/aa75be 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 |
 | Cochrane, A. K., Telfer, M., Dixon, C. A. L., Zhang, W., Halasyamani, P. S., Bousquet, E., & Lightfoot, P. (August 2016). NdBaScO4 : aristotype of a new family of geometric ferroelectrics? Chemical Communications, 52, 10980. doi:10.1039/C6CC05940F Peer Reviewed verified by ORBi |
 | Ricci, F., & Bousquet, E. (03 June 2016). Unveiling the Room-Temperature Magnetoelectricity of Troilite FeS. Physical Review Letters, 116, 227601. doi:10.1103/PhysRevLett.116.227601 Peer Reviewed verified by ORBi |
 | 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 |
 | Bousquet, E., & Cano, A. (25 February 2016). Non-collinear magnetism in multiferroic perovskites. Journal of Physics: Condensed Matter, 28, 123001. doi:10.1088/0953-8984/28/12/123001 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. |
 | Garcia Castro, A. C., Vergniory, M. G., Bousquet, E., & Romero, A. H. (07 January 2016). Spin texture induced by oxygen vacancies in strontium perovskite (001) surfaces: A theoretical comparison between SrTiO3 and SrHfO3. Physical Review. B, 93, 045405. doi:10.1103/PhysRevB.93.045405 Peer Reviewed verified by ORBi |
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. |
 | Gonze, X., Jollet, F., Araujo, F. A., Adams, D., Amadon, B., Applencourt, T., Audouze, C., Beuken, J.-M., Bieder, J., Bokhanchuk, A., Bousquet, E., Bruneval, F., Caliste, D., Côté, M., Dahm, F., Pieve, F. D., Delaveau, M., Gennaro, M. D., Dorado, B., ... Zwanziger, J. W. (2016). Recent developments in the ABINIT software package. Computer Physics Communications, 205, 106-131. doi:10.1016/j.cpc.2016.04.003 Peer Reviewed verified by ORBi |
 | Garcia Castro, A. C., Romero, A. H., & Bousquet, E. (2016). Strain-Engineered Multiferroicity in Pnma NaMnF3 Fluoroperovskite. Physical Review Letters, 116, 117202. doi:10.1103/PhysRevLett.116.117202 Peer Reviewed verified by ORBi |
 | Qiu, R., Bousquet, E., & Cano, A. (26 November 2015). Ferroelectric instability in nanotubes and spherical nanoshells. Europhysics Letters, 112, 37006. doi:10.1209/0295-5075/112/37006 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 |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
 | 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 |
 | McCabe, E. E., Bousquet, E., Stockdale, C. P. J., Deacon, C. A., Tran, T. T., Halasyamani, P. S., Stennett, M. C., & Hyatt, N. C. (2015). Proper Ferroelectricity in the Dion−Jacobson Material CsBi2Ti2NbO10: Experiment and Theory. Chemistry of Materials, 27, 8298. doi:10.1021/acs.chemmater.5b03564 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 |
 | Garcia Castro, A. C., Romero, A., & Bousquet, E. (2015). Noncollinear magnetism in post-perovskites from first-principles: Comparison between CaRhO3 and NaNiF3. Physica Status Solidi B. Basic Research, 252 (4), 689. doi:10.1002/pssb.201451400 Peer Reviewed verified by ORBi |
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. |
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. |
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. |
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. |
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. |
 | Garcia Castro, A. C., Romero, A. H., & Bousquet, E. (2014). First-principles study of vibrational and noncollinear magnetic properties of the perovskite to postperovskite pressure transition of $NaMnF_3$. Physical Review. B, Condensed Matter and Materials Physics, 90, 064113. doi:10.1103/PhysRevB.90.064113 Peer Reviewed verified by ORBi |
 | Garcia Castro, A. C., Spaldin, N. A., Romero, A. H., & Bousquet, E. (2014). Geometric ferroelectricity in fluoroperovskites. Physical Review. B, Condensed Matter and Materials Physics, 89, 104107. doi:10.1103/PhysRevB.89.104107 Peer Reviewed verified by ORBi |
 | Dawber, M.* , & Bousquet, E.*. (December 2013). New developments in artificially layered ferroelectric oxide superlattices. MRS Bulletin, 38, 1048. doi:10.1557/mrs.2013.263 Peer reviewed* These authors have contributed equally to this work. |
 | Lee, J. H., Delaney, K., Bousquet, E., Spaldin, N. A., & Rabe, K. M. (27 November 2013). Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO3. Physical Review. B, Condensed Matter and Materials Physics, 88, 174426. doi:10.1103/PhysRevB.88.174426 Peer Reviewed verified by ORBi |
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. |
 | Spaldin, N. A., Fechner, M., Bousquet, E., Balatsky, A., & Nordström, L. (2013). Monopole-based formalism for the diagonal magnetoelectric response. Physical Review. B, Condensed Matter and Materials Physics, 88, 094429. doi:10.1103/PhysRevB.88.094429 Peer Reviewed verified by ORBi |
 | 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 |
 | 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. |
 | Scaramucci, A., Bousquet, E., Fechner, M., Mostovoy, M., & Spaldin, N. A. (2012). Linear magnetoelectric effect by orbital magnetism. Physical Review Letters, 109 (19). doi:10.1103/PhysRevLett.109.197203 Peer Reviewed verified by ORBi |
 | Gu, Y., Rabe, K., Bousquet, E., Gopalan, V., & Chen, L.-Q. (2012). Phenomenological thermodynamic potential for CaTiO3 single crystals. Physical Review. B, Condensed Matter and Materials Physics, 85, 064117. doi:10.1103/PhysRevB.85.064117 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 |
 | Weingart, C., Spaldin, N., & Bousquet, E. (2012). Noncollinear magnetism and single-ion anisotropy in multiferroic perovskites. Physical Review. B, Condensed Matter and Materials Physics, 86 (9). doi:10.1103/PhysRevB.86.094413 Peer Reviewed verified by ORBi |
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. |
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. |
 | Bousquet, E., Spaldin, N. A., & Delaney, K. T. (2011). Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity. Physical Review Letters, 106 (10). doi:10.1103/PhysRevLett.106.107202 Peer Reviewed verified by ORBi |
 | Bousquet, E., & Spaldin, N. (2011). Induced Magnetoelectric Response in Pnma Perovskites. Physical Review Letters, 107 (19). doi:10.1103/PhysRevLett.107.197603 Peer Reviewed verified by ORBi |
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. |
Bousquet, E., & Ghosez, P. (June 2010). Combining structural instabilities in strained perovskite oxide superlattices [Paper presentation]. EMRS, Strasbourg, France. |
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. |
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. |
 | Bousquet, E., & Spaldin, N. (2010). J dependence in the LSDA plus U treatment of noncollinear magnets. Physical Review. B, Condensed Matter and Materials Physics, 82 (22). doi:10.1103/PhysRevB.82.220402 Peer Reviewed verified by ORBi |
 | 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 |
 | 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 |
 | Frayret, C., Villesuzanne, A., Spaldin, N., Bousquet, E., Chotard, J.-N., Recham, N., & Tarascon, J.-M. (2010). LiMSO(4)F (M = Fe, Co and Ni): promising new positive electrode materials through the DFT microscope. Physical Chemistry Chemical Physics, 12 (47), 15512-15522. doi:10.1039/c0cp00517g 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. |
 | 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 |
 | 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 |
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. |
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. |
Battacharjee, S., Bousquet, E., & Ghosez, P. (December 2008). Competing structural instabilities in CaMnO3 [Paper presentation]. MRS fall meeting, Boston, United States. |
 | Bousquet, E. (2008). First-Principles study of ferroelectric oxide nanostructures [Doctoral thesis, Université de Liège]. ORBi-University of Liège. https://orbi.uliege.be/handle/2268/314816 |
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. |
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. |
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 |
 | 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 |
 | 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 |
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. |
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. |
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. |
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. |
Bousquet, E., Hermet, P., & Ghosez, P. (March 2007). First-principles study of PbTiO3/SrTiO3 multilayers [Poster presentation]. 3rd Symposium on Complex Materials, Kerkrade, Netherlands. |
Bousquet, E., Hermet, P., & Ghosez, P. (January 2007). First-principles study of PbTiO3/SrTiO3 multilayers [Poster presentation]. 3rd International ABINIT developper workshop, Liège, Belgium. |
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. |
 | 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. |
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. |
 | 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 |
 | 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 |
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. |
Bousquet, E., & Ghosez, P. (August 2005). First-principles study of (BaTiO3)m/(BaO)n multilayers [Poster presentation]. ABINIT Summer School, Santa Barbara, United States. |
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. |
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. |
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. |
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. |
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. |
