Publications and communications of Philippe Ghosez

Hassani, H., Bousquet, E., He, X., Partoens, B., & Ghosez, P. (16 February 2025). The anti-distortive polaron as an alternative mechanism for lattice-mediated charge trapping. Nature Communications, 16 (1), 1688. doi:10.1038/s41467-025-56791-0

Liang, Y., Zhang, Y., Tong, W., Ghosez, P., Bousquet, E., & Spreitzer, M. (November 2024). Theoretical investigations on exploring Si-based heterostructures with cubic and ground-state perovskites. Results in Physics, 66, 108022. doi:10.1016/j.rinp.2024.108022

Zatterin, E., Ondrejkovic, P., Bastogne, L., Lichtensteiger, C., Tovaglieri, L., Chaney, D. A., Sasani, A., Schülli, T., Bosak, A., Leake, S., Zubko, P., Ghosez, P., Hlinka, J., Triscone, J.-M., & Hadjimichael, M. (October 2024). Assessing the Ubiquity of Bloch Domain Walls in Ferroelectric Lead Titanate Superlattices. Physical Review X, 14 (4). doi:10.1103/PhysRevX.14.041052

Bennett, D., & Ghosez, P. (01 July 2024). Asymmetric dynamical charges in two-dimensional ferroelectrics. Physical Review. B, 110 (4). doi:10.1103/physrevb.110.l041101

Varbaro, L., Mundet, B., Bandyopadhyay, S., Domínguez, C., Fowlie, J., Korosec, L., Hsu, C.-Y., Alexander, D. T. L., Ghosez, P., & Triscone, J.-M. (March 2024). Structural study of nickelate based heterostructures. APL Materials, 12 (3). doi:10.1063/5.0184306

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

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

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

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.
* 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

Amisi, S., Lambin, P., & Ghosez, P. (2023). Structural and dynamical phase transitions of NaNbO3 from first-princiles calculations. Physical Review Materials, 7, 024408.

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

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

Zhang, Y., He, X., & Ghosez, P. (2023). Magnetic excitations in infinite-layer LaNiO2. Applied Physics Letters, 122, 152401.

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

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

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

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

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

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

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

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

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

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

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.

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

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

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

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

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. (March 2018). First-principles study of (Ba,Ca)(Ti,Zr)O3 solid solutions [Paper presentation]. EJD-FunMat Training School and General Meeting, Luxembourg, Luxembourg.

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

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

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

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

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

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

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.

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

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

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

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

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

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

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