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 |
Bennett, D., Martínez-Carracedo, G., He, X., Ferrer, J., Ghosez, P., Comin, R., & Kaxiras, E. (13 December 2024). Stacking-Engineered Ferroelectricity and Multiferroic Order in van der Waals Magnets. Physical Review Letters, 133 (24), 246703. doi:10.1103/PhysRevLett.133.246703 |
Chen, M., Liu, H., He, X., Li, M., Tang, C. S., Sun, M., Koirala, K. P., Bowden, M. E., Li, Y., Liu, X., Zhou, D., Sun, S., Breese, M. B. H., Cai, C., Wang, L., Du, Y., Wee, A. T. S., & Yin, X. (08 October 2024). Uncovering an Interfacial Band Resulting from Orbital Hybridization in Nickelate Heterostructures. ACS Nano, 18 (40), 27707 - 27717. doi:10.1021/acsnano.4c09921 |
Sun, M., He, X., Chen, M., Tang, C. S., Liu, X., Dai, L., Liu, J., Zeng, Z., Sun, S., Breese, M. B. H., Cai, C., Wang, L., Du, Y., Wee, A. T. S., & Yin, X. (19 June 2024). Tunable Collective Excitations in Epitaxial Perovskite Nickelates. ACS Photonics, 11 (6), 2324 - 2334. doi:10.1021/acsphotonics.4c00210 |
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 |
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, 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 |
Regout, M., Meyer, S., He, X., Verstraete, M., & Dupé, B. (14 June 2023). Determination of magnetic interactions for Weyl semi-metals using first principles [Poster presentation]. ETSF Young researchers meeting 2023, Zaragoza, Spain. |
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 |
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 |
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. |
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 |
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 |
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. |