Profil

He Xu

Département de physique > Physique théorique des matériaux

Quantum Materials (Q-MAT)

See author's contact details
ORCID
0000-0003-4437-0567
Main Referenced Co-authors
Ghosez, Philippe  (14)
Bousquet, Eric  (9)
Zhang, Yajun (6)
Wang, Jie (5)
Verstraete, Matthieu  (4)
Main Referenced Keywords
DFT (3); magnetic interactions (3); multiferroics (3); Physics and Astronomy (all) (3); second-principles (3);
Main Referenced Unit & Research Centers
Q-MAT - Quantum Materials - ULiège (5)
CESAM - Complex and Entangled Systems from Atoms to Materials - ULiège (1)
PhyTheMa (1)
QMAT, CESAM, PhyTheMa (1)
Main Referenced Disciplines
Physics (23)

Publications (total 23)

The most downloaded
1490 downloads
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 https://hdl.handle.net/2268/308533

The most cited

277 citations (OpenAlex)

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 https://hdl.handle.net/2268/259033

Gomez Ortiz, F., Bastogne, L., Anand, S., Yu, M., He, X., & Ghosez, P. (27 May 2025). Switchable skyrmion-antiskyrmion tubes in rhombohedral BaTiO 3 and related materials. Physical Review. B, 111 (18). doi:10.1103/PhysRevB.111.L180104
Peer Reviewed verified by ORBi

Wang, J., Xu, S., Meyer, S., Wu, S., Bandyopadhyay, S., He, X., Miao, Q., Huang, S., Li, P., Zhao, K., Guo, E.-J., Ge, C., Dupé, B., Ghosez, P., Chang, K., & Jin, K. (May 2025). Manipulation of Ferroic Orders via Continuous Biaxial Strain Engineering in Multiferroic Bismuth Ferrite. Advanced Science, 12 (19), 2417165. doi:10.1002/advs.202417165
Peer Reviewed verified by ORBi

Gomez Ortiz, F., Bastogne, L., He, X., & Ghosez, P. (11 April 2025). Precise control and displacement of polar textures from inhomogeneous and time-dependent electric fields. Physical Review. B, 111 (13). doi:10.1103/PhysRevB.111.134107
Peer Reviewed verified by ORBi

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
Peer Reviewed verified by ORBi

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
Peer Reviewed verified by ORBi

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
Peer Reviewed verified by ORBi

Boutiche, S., He, X., Djani, H., & Bousquet, E. (August 2024). First-Principles Investigations of the Structural Phases of Low-Spin State of BiCoO3. Physica Status Solidi B. Basic Research, 261 (8), 2400131. doi:10.1002/pssb.202400131
Peer Reviewed verified by ORBi

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
Peer Reviewed verified by ORBi

Lang, L., Tavadze, P., Tellez, A., Bousquet, E., He, X., Muñoz, F., Vasquez, N., Herath, U., & Romero, A. (April 2024). Expanding PyProcar for new features, maintainability, and reliability. Computer Physics Communications, 297, 109063. doi:10.1016/j.cpc.2023.109063
Peer Reviewed verified by ORBi

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

Zhang, J., Bastogne, L., He, X., Tang, G., Zhang, Y., Ghosez, P., & Wang, J. (2023). Structural phase transitions and dielectric properties of BaTiO3 from a second-principles method. Physical Review. B, (108), 134117. doi:10.1103/PhysRevB.108.134117
Peer Reviewed verified by ORBi

Zhang, Y., Zhang, J., Li, J., Sahoo, M. P. K., He, X., Wang, J., & Ghosez, P. (2023). Displacive phase transitions in infinite-layer nickelates from first- and second-principles calculations. Physical Review. B, (108), 165117. doi:10.1103/PhysRevB.108.165117
Peer Reviewed verified by ORBi

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.

Zhang, Y., He, X., Zhang, J., Wang, J., & Ghosez, P. (2023). Incommensurate Magnetic Order in Hole-Doped Infinite-Layer Nickelate Superconductors due to Competing Magnetic Interactions. Advanced Functional Materials, 2304187. doi:10.1002/adfm.202304187
Peer Reviewed verified by ORBi

Rischau, C.-W., He, X., Mazza, G., Gariglio, S., Triscone, J.-M., Ghosez, P., & del Valle, J. (2023). Oxygen isotope effect in VO2. Physical Review. B, 107, 115139. doi:10.1103/PhysRevB.107.115139
Peer Reviewed verified by ORBi

Zhang, Y., Zhang, J., He, X., Wang, J., & Ghosez, P. (2023). Rare-earth control of phase transitions in infinite-layer nickelates. PNAS Nexus, 2, 1-10. doi:10.1093/pnasnexus/pgad108
Peer reviewed

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

Zhang, Y., Han, P., Sahoo, M. P. K., He, X., Wang, J., & Ghosez, P. (28 December 2022). Designing orbital and charge ordering multiferroics by superlattice strategy and strain engineering. Physical Review. B, 106, 235156. doi:10.1103/PhysRevB.106.235156
Peer Reviewed verified by ORBi

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

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
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

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.

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