Publications and communications of Eric Bousquet

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

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

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

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

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

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

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

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

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

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

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

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

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

Hassani, H., Partoens, B., Bousquet, E., & Ghosez, P. (2022). Origin of medium-size polaronsin WO3 [Paper presentation]. E-MRS Fall Meeting, Warsaw, Poland.

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).

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

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

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

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

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

Bousquet, E., & Cano, A. (2021). Non-collinear magnetism & multiferroicity: the perovskite case. Physical Sciences Reviews. doi:10.1515/psr-2019-0071

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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.

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

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

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

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

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

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

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

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

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

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

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.

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

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

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

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

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.

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.

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.

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.

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.

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.

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.

Hamdi, H., Ghosez, P., & Bousquet, E. (15 May 2015). First-principles re-investigation of bulk WO3 [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.

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.

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

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

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

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

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

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

Dawber, M.* , & Bousquet, E.*. (December 2013). New developments in artificially layered ferroelectric oxide superlattices. MRS Bulletin, 38, 1048. doi:10.1557/mrs.2013.263
* 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

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

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

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

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.

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

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

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

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

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. (2011). Induced Magnetoelectric Response in Pnma Perovskites. Physical Review Letters, 107 (19). doi:10.1103/PhysRevLett.107.197603

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

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., 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

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

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

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

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

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

Battacharjee, S., Bousquet, E., & Ghosez, P. (December 2008). Competing structural instabilities in CaMnO3 [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.

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. (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.

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., Triscone, J.-M., & Ghosez, P. (30 May 2008). Improper ferroelectricity in artificial ferroelectric oxide superlattices [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.

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.

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.

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

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

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

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

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

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

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.