[70].“Role of domain walls on imprint and fatigue in HfO2-based ferroelectrics”

     Muting Xie#, Hongyu Yu#, Binhua Zhang, Changsong Xu*, and Hongjun Xiang*

      Phys. Rev. B 111, 184108 (2025)

      https://doi.org/10.1103/PhysRevB.111.184108

[69].“Dzyaloshinskii–Moriya interaction manipulation in multiferroic Janus monolayers”

     Xuanyi Li*#, Zhiwen Wang#, Zefeng Chen, Zhichao Yu, Changsong Xu

      npj Computational Materials 11, 123 (2025)

      https://doi.org/10.1038/s41524-025-01585-7

[68].“Spin-charge-orbital order in nickelate superconductors”

      Binhua Zhang, Changsong Xu*, and Hongjun Xiang*

      Phys. Rev. B 111, 184401 (2025)

      https://doi.org/10.1103/PhysRevB.111.184401

[67].“Engineering hybrid skyrmions via -symmetric stacking of van der Waals magnets”

      Zhiwen Wang#, Junyi Ji#, and Changsong Xu*

      Phys. Rev. B 111, 064429 (2025)

      https://doi.org/10.1103/PhysRevB.111.064429

[66].“Dynamics of ferroelectricity in monolayer AgCr2⁢S4 calculated with a machine learning potential”

      Jinming Wu#, Haoran Zhu#,  Xuanyi Li, Guoliang Yu, Hongyu Yu, and Changsong Xu*

      Phys. Rev. B 111, 085417 (2025)

      https://doi.org/10.1103/PhysRevB.111.085417

[65].“Mechanism of Type-II Multiferroicity in Pure and Al-Doped CuFeO2”

      Weiqin Zhu, Panshuo Wang, Haoran Zhu, Haiyan Zhu, Xueyang Li, Jun Zhao, Changsong Xu*, and Hongjun Xiang*

      Phys. Rev. Lett. 134, 066801 (2025)

      https://doi.org/10.1103/PhysRevLett.134.066801

[64].“Skyrmionic states induced by local Dzyaloshinskii-Moriya interaction”

      Zhiwen Wang#, Junyi Ji#, Hongyu Yu, and Changsong Xu*

      Phys. Rev. B 111, 054417 (2025)

      https://doi.org/10.1103/PhysRevB.111.054417

[63].“Symmetry Strategy for Rapid Discovery of Abundant Fractional Quantum Ferroelectrics”

      Guoliang Yu#, Junyi Ji#, Yingwei Chen, Changsong Xu*, and H. J. Xiang*

      Phys. Rev. Lett. 134, 016801 (2025)

      https://doi.org/10.1103/PhysRevLett.134.016801

[62].“Effects of Kitaev interaction on magnetic order and anisotropy”

      Lianchuang Li#, Binhua Zhang#, Zefeng Chen, Changsong Xu*, and Hongjun Xiang*

      Phys. Rev. B 110, 214435 (2024)

      https://doi.org/10.1103/PhysRevB.110.214435

[61].“Unraveling atomistic and electronic origins of multiaxial magnetic anisotropy”

      Boyu Liu, Xueyang Li, Junsheng Feng, Changsong Xu*, Hongjun Xiang*

      SCIENCE CHINA Physics, Mechanics & Astronomy 227511 (2024)

      https://doi.org/10.1007/s11433-024-2518-y

[60].“Physics-informed time-reversal equivariant neural network potential for magnetic materials”

      Hongyu Yu, Boyu Liu, Yang Zhong, Liangliang Hong, Junyi Ji, Changsong Xu, Xingao Gong, and Hongjun Xiang*

      Phys. Rev. B 110, 104427 (2024)

      https://doi.org/10.1103/PhysRevB.110.104427

[59].“Electronic and magnetic origins of unconventional charge density wave in kagome FeGe”

      Binhua Zhang, Junyi Ji, Changsong Xu*, and Hongjun Xiang*

      Phys. Rev. B 110, 125139 (2024)

      https://doi.org/10.1103/PhysRevB.110.125139

[58].“Strain-dependent spin Hall magnetoresistance in the multiferroic antiferromagnet BiFeO3”

      D. Sando, S. Chen, O. Paull, B. Xu, J. J. L. van Rijn, C. Xu, S. Xu, F. Appert, J. Juraszek, L. Bellaiche, V. Nagarajan, and T. Banerjee

      Phys. Rev. Materials 8, L071401 (2024)

      https://doi.org/10.1103/PhysRevMaterials.8.L071401

[57].“Chiral magnetism in lithium-decorated monolayer CrTe2: Interplay between Dzyaloshinskii-Moriya interaction and higher-order interactions”

      Weiyi Pan, Changsong Xu*, Xueyang Li, Zhiming Xu, Boyu Liu, Bing-Lin Gu, and Wenhui Duan

      Phys. Rev. B 109, 214405 (2024)

      https://doi.org/10.1103/PhysRevB.109.214405

[56].“Memristive switching in the surface of a charge–density–wave topological semimetal”

      Jianwen Ma, Xianghao Meng, Binhua Zhang ... Changsong Xu*, Xiang Yuan*, Cheng Zhang*

      Science Bulletin 69, 2042 (2024)

      https://doi.org/10.1016/j.scib.2024.05.010

[55].“Competing multiferroic phases in monolayer and few-layer NiI2”

      Nanshu Liu, Cong Wang, Changlin Yan, Changsong Xu, Jun Hu*, Yanning Zhang*, and Wei Ji*

      Phys. Rev. B 109, 195422 (2024)

      https://doi.org/10.1103/PhysRevB.109.195422

[54].“Spin disorder control of topological spin texture”

      Hongrui Zhang*, Yu-Tsun Shao, Xiang Chen*, Binhua Zhang, ..., Changsong Xu*, ..., Ramamoorthy Ramesh*

      Nat. Commun. 15, 3828 (2024)

      https://doi.org/10.1038/s41467-024-47715-5

[53].“Spin-dependent graph neural network potential for magnetic materials”

      Hongyu Yu, Yang Zhong, Liangliang Hong, Changsong Xu, Wei Ren, Xingao Gong, and Hongjun Xiang*

      Phys. Rev. B 109, 144426 (2024)

      https://doi.org/10.1103/PhysRevB.109.144426

[52].“Evaluating Gilbert damping in magnetic insulators from first-principles”

      Liangliang Hong, Changsong Xu, and Hongjun Xiang*

      Phys. Rev. B 109, 094429 (2024)

      https://doi.org/10.1103/PhysRevB.109.094429

[51].“First-Principles Approaches to Magnetoelectric Multiferroics”

      Changsong Xu, Hongyu Yu, Junling Wang, and Hongjun Xiang*

      Annual Review of Condensed Matter Physics 15, 85 (2024)

      https://doi.org/10.1146/annurev-conmatphys-032922-102353

[46].“Manipulating two-dimensional magnetic states via electric field and pressure”

      Hengxing Bao, Hao Tian*, Xu Li, Xingyue Ma, Changsong Xu, Yurong Yang* and Di Wu*

      Phys. Chem. Chem. Phys. 25, 22244  (2023)

      https://doi.org/10.1039/D3CP02043F

[45].“Realistic Spin Model for Multiferroic NiI2”

      Xuanyi Li, Changsong Xu*, Boyu Liu, Xueyang Li, L. Bellaiche, and Hongjun Xiang*

      Phys. Rev. Lett.  131, 036701 (2023)

      https://doi.org/10.1103/PhysRevLett.131.036701

[44].“Constraining spin directions in density functional theory calculations by imposing a local magnetic field”

      Yingwei Chen, Yali Yang, Changsong Xu, and Hongjun Xiang*

      Phys. Rev. B.  107, 214439 (2023)

      https://doi.org/10.1103/PhysRevB.107.214439

[43].“General Theory for Bilayer Stacking Ferroelectricity”

      Junyi Ji, Guoliang Yu, Changsong Xu*, and Hongjun Xiang*

      Phys. Rev. Lett.  130, 146801  (2023)

      (Editors' Suggestion & Featured in Physics & Web of Science Highly Cited) 

      https://doi.org/10.1103/PhysRevLett.130.146801

[42].“Designing polar textures with ultrafast neuromorphic features from atomistic simulations”

      Sergey Prosandeev, Sergei Prokhorenko, Yousra Nahas, Yali Yang, Changsong Xu, Julie Grollier, Diyar Talbayev, Brahim Dkhil and L Bellaiche*

      Neuromorph. Comput. Eng 3, 012002 (2023)

      https://doi.org/10.1088/2634-4386/acbfd6

[40].“Simultaneously improving Rashba-type and Zeeman effects in two-dimensional multiferroics”

      Xu Li, Hao Tian, Hong Jian Zhao, Changsong Xu, Meng Ye, Lan Chen, Hongjun Xiang, Jun-Ming Liu, L. Bellaiche, Di Wu*, and Yurong Yang*

      Physical Review B 106, L201105 (2022)

      https://doi.org/10.1103/PhysRevB.106.L201105

[39].“Self-Assembled LuFeO₃/LuFe₂O₄ Heterostructure with Emergent Ferroic Orderings”

      Shiqing Deng#, Changsong Xu#, Shaobo Cheng, Wenbin Wang, Jing Zhu*, Yimei Zhu*, Jun Chen*

      Advanced Functional Materials 32, 202206050 (2022)

      https://doi.org/10.1002/adfm.202206050

[38].“Microscopic Magnetic Origin of Rhombohedral Distortion in NiO”

      Guangmeng He#, Huimin Zhang#, Jinyang Ni, Boyu Liu, Changsong Xu*, and Hongjun Xiang*

      Chinese Physics Letters 39, 067501 (2022)

      https://doi.org/10.1088/0256-307X/39/6/067501

[37].“Complex spin Hamiltonian represented by an artificial neural network”

      Hongyu Yu#, Changsong Xu#, Xueyang Li, Feng Lou, L. Bellaiche, Zhenpeng Hu, Xingao Gong, and Hongjun Xiang*

      Physical Review B 105, 174422 (2022)

      https://doi.org/10.1103/PhysRevB.105.174422

[36]. “Hidden phases with neuromorphic responses and highly enhanced piezoelectricity in an antiferroelectric prototype”

Sergey Prosandeev, Sergei Prokhorenko, Yousra Nahas, Yali Yang, Changsong Xu, Julie Grollier, Diyar Talbayev, Brahim Dkhil, and L. Bellaiche*

Physical Review B 105, L100101 (2022)

https://doi.org/10.1103/PhysRevB.105.L100101

[35]. “Assembling diverse skyrmionic phases in Fe₃GeTe₂ monolayer”

Changsong Xu, Xueyang Li, Peng Chen, Yun Zhang, Hongjun Xiang*, L. Bellaiche*

Adv. Mater. 34, 2107779 (2022)

https://doi.org/10.1002/adma.202107779

[34]. “Anisotropic epitaxial stabilization of a low-symmetry ferroelectric with enhanced electromechanical response”

Oliver Paull#, Changsong Xu#, Xuan Cheng, Yangyang Zhang, Bin Xu, Kyle Kelley, Rama K. Vasudevan, L. Bellaiche, Valanoor Nagarajan*, Daniel Sando*

Nat. Mater. 21, 74 (2022)

https://doi.org/10.1038/s41563-021-01098-w

[33]. “Magnetization compensation temperature and frustration-induced topological defects in ferrimagnetic antiperovskite Mn₄N”

Temuujin Bayaraa, Changsong Xu*, L. Bellaiche

Physical Review Letters 127, 217204 (2021) 

https://doi.org/10.1103/PhysRevLett.127.217204

[32]. “Designing frustration in 2D magnetic systems via the application of uniaxial strain”

Suyash Rijal, Changsong Xu*, L. Bellaiche

Physical Review B 103, 014442 (2021)

https://doi.org/10.1103/PhysRevB.103.014442

[31]. “Coexistence and Coupling of Multiple Charge Orderings and Spin States in Hexagonal Ferrite”

Shaobo Cheng#, Xing Li#, Changsong Xu, Yu Liu, Marco Beleggia, Lijun Wu, Wenbin Wang, C. Petrovic, Laurent Bellaiche, Jing Tao*, Yimei Zhu*

Nano Letters 21, 5782 (2021)

https://doi.org/10.1021/acs.nanolett.1c01624

[30]. “Band structure engineering of van der Waals heterostructures using ferroelectric clamped sandwich structures”

Hao Tian, Changsong Xu, Xu Li, Yurong Yang*, L. Bellaiche, Di Wu* 

Physical Review B 103, 125426 (2021)

https://doi.org/10.1103/PhysRevB.103.125426

[29]. “Properties of (001) NaNbO₃ films under epitaxial strain: A first-principles study”

Kinnary Patel, Sergey Prosandeev, Bin Xu, Changsong Xu, and L. Bellaiche

Physical Review B 103, 094103 (2021)

https://doi.org/10.1103/PhysRevB.103.094103

[28]. “Topological spin texture in Janus monolayers of chromium trihalides Cr(I,X)₃”

Changsong Xu#, Junsheng Feng#, Sergei Prokhorenko, Yousra Nahas, Hongjun Xiang*, L. Bellaiche*

Physical Review B (Rapid Communication) 101, 060404 (2020)

(Web of Science Highly Cited)

https://doi.org/10.1103/PhysRevB.101.060404

[27]. “Possible Kitaev quantum spin liquid state in 2D materials with S=3/2”

Changsong Xu#, Junsheng Feng#, Mitsuaki Kawamura, Youhei Yamaji, Yousra Nahas, Sergei Prokhorenko, Yang Qi*, Hongjun Xiang*, L. Bellaiche

Physical Review Letters 124, 087205 (2020)

(Editors' Suggestion & On the Cover & Web of Science Highly Cited)

https://doi.org/10.1103/PhysRevLett.124.087205

[26]. “Electric-field switching of magnetic topological charge in type-I multiferroics”

Changsong Xu, Peng Chen, Hengxin Tan, Yurong Yang, Hongjun Xiang*, L. Bellaiche*

Physical Review Letters 125, 037203 (2020)

https://doi.org/10.1103/PhysRevLett.125.037203

[25]. “Magnetic-domain-wall-induced electrical polarization in rare-earth iron garnet systems: A first-principles study”

Temuujin Bayaraa, Changsong Xu*, Yali Yang, Hongjun Xiang, L. Bellaiche

Physical Review Letters 125, 067602 (2020)

https://doi.org/10.1103/PhysRevLett.125.067602

[24]. “Emergence of skyrmionium in a two-dimensional CrGe(Se,Te)₃ Janus monolayer”

Yun Zhang#, Changsong Xu#, Peng Chen, Yousra Nahas, Sergei Prokhorenko, L. Bellaiche*,

Physical Review B (Rapid Communication) 102, 241107 (2020)

https://doi.org/10.1103/PhysRevB.102.241107

[23]. “Finite-temperature properties of rare-earth iron garnets under magnetic fields”

Davis Campbell, Changsong Xu*, Temuujin Bayaraa, L. Bellaiche

Physical Review B 102, 144406 (2020)

https://doi.org/10.1103/PhysRevB.102.144406

[22]. “Berezinskii-Kosterlitz-Thouless phase in 2D ferroelectrics”

Changsong Xu#, Yousra Nahas#, Sergei Prokhorenko, Hongjun Xiang*, L. Bellaiche*

Physical Review B (Rapid Communication) 101, 241402 (2020)

https://doi.org/10.1103/PhysRevB.101.241402

[21]. “Magnetic interactions in BiFeO₃: a first-principles study”

Changsong Xu, Bin Xu*, Dupé Bertrand, L. Bellaiche*

Physical Review B 99, 104420 (2019)

https://doi.org/10.1103/PhysRevB.99.104420

[20]. “Tuning magnetization compensation and Curie temperatures in epitaxial rare earth iron garnet films”

Temuujin Bayaraa, Changsong Xu*, Davis Campbell, L Bellaiche

Physical Review B 100, 214412 (2019)

https://doi.org/10.1103/PhysRevB.100.214412

[19]. “Pressure-induced large enhancement of Néel temperature and electric polarization in the hexagonal multiferroic”

Fengliang Liu#, Changsong Xu#, Shoudong Shen#, Nana Li, Hangwen Guo, Xujie Lü, Hongjun Xiang, L. Bellaiche, Jun Zhao, Lifeng Yin, Wenge Yang*, Wenbin Wang*, and Jian Shen*

Physical Review B 100, 214408 (2019)

https://doi.org/10.1103/PhysRevB.100.214408

[18]. “Electric-field control of magnetization, Jahn-Teller distortion, and orbital ordering in ferroelectric ferromagnets”

Lan Chen, Changsong Xu, Hao Tian, Hongjun Xiang, Jorge Íñiguez, Yurong Yang*, L. Bellaiche

Physical Review Letters 122, 247701 (2019)

https://doi.org/10.1103/PhysRevLett.122.247701

[17]. “Prediction of room-temperature half-metallicity in layered halide double perovskites”

Jian Xu, Changsong Xu, Jian-Bo Liu, Laurent Bellaiche, Hongjun Xiang, Bai-Xin Liu*, Bing Huang*

npj Computational Materials 5, 114 (2019)

https://doi.org/10.1038/s41524-019-0252-6

[16]. “Interface reconstruction with emerging charge ordering in hexagonal manganite”

Shaobo Cheng#, Changsong Xu#, Shiqing Deng, Myung-Geun Han, Shanyong Bao, Jing Ma, Cewen Nan, Wenhui Duan, L. Bellaiche, Yimei Zhu*, Jing Zhu*

Science Advances 4, eaar4298 (2018)

https://doi.org/10.1126/sciadv.aar4298

[15]. “Interplay between Kitaev interaction and single ion anisotropy in ferromagnetic CrI₃ and CrGeTe₃ monolayers”

Changsong Xu#, Junsheng Feng#, Hongjun Xiang*, L. Bellaiche*

npj Computational Materials 4, 57 (2018)

https://doi.org/10.1038/s41524-018-0115-6

[14]. “Revisiting spin cycloids in multiferroic BiFeO₃”

Bin Xu*, Dupé Bertrand, Changsong Xu, Hongjun Xiang, L. Bellaiche*

Physical Review B 98, 184420 (2018)

https://doi.org/10.1103/PhysRevB.98.184420

[13]. “Understanding and revisiting the most complex perovskite system via atomistic simulations”

Yali Yang, Bin Xu, Changsong Xu, Wei Ren*, L. Bellaiche*

Physical Review B 97, 174106 (2018)

https://doi.org/10.1103/PhysRevB.97.174106

[12]. “First-principles studies of the local structure, relaxor behavior of Pb(Mg_1/3Nb_2/3)O₃- PbTiO₃-derived ferroelectric perovskite solid solutions”

Hengxin Tan, Hiroyuki Takenaka, Changsong Xu, Wenhui Duan, Ilya Grinberg, Andrew M Rappe*

Physical Review B 97, 174101 (2018)

https://doi.org/10.1103/PhysRevB.97.174101

[11]. “Structural phases arising from reconstructive and isostructural transitions in high-melting- point oxides under hydrostatic pressure: A first-principles study”

Hao Tian, Xiao-Yu Kuang, Ai-Jie Mao*, Yurong Yang*, Changsong Xu, S Omid Sayedaghaee, L. Bellaiche*

Physical Review B 97, 020103 (2018)

https://doi.org/10.1103/PhysRevB.97.020103

[10]. “Novel type of ferroelectricity in brownmillerite structures: A first-principles study”

Hao Tian, Xiao-Yu Kuang, Ai-Jie Mao*, Yurong Yang*, Hongjun Xiang, Changsong Xu, S Omid Sayedaghaee, Jorge Iñiguez, L. Bellaiche*

Physical Review Materials 2, 084402 (2018)

https://doi.org/10.1103/PhysRevMaterials.2.084402

[9]. “Pressure-induced multiferroics via pseudo Jahn-Teller effects and novel couplings”

Changsong Xu, Yang Li, Bin Xu, Jorge Iñiguez, Wenhui Duan*, L. Bellaiche*

Advanced Functional Materials 27, 1604513 (2017)

https://doi.org/10.1002/adfm.201604513

[8]. “Novel multiferroic phases and phenomena in epitaxial (111) BiFeO₃ films”

Changsong Xu, Hongjun Xiang, L. Bellaiche*

Advanced Electronic Materials 3, 1700332 (2017)

https://doi.org/10.1002/aelm.201700332

[7]. “Properties of rare-earth iron garnets from first principles”

Ryan Nakamoto, Bin Xu*, Changsong Xu, Hu Xu, L. Bellaiche*

Physical Review B 95, 024434 (2017)

https://doi.org/10.1103/PhysRevB.95.024434

[6]. “Atomic mechanism of hybridization-dependent surface reconstruction with tailored functionality in hexagonal multiferroics”

Shiqing Deng, Shaobo Cheng, Changsong Xu, Binghui Ge, Xuefeng Sun, Rong Yu, Wenhui Duan, Jing Zhu*

ACS applied materials & interfaces 9, 27322 (2017)

https://doi.org/10.1021/acsami.7b08055

[5]. “Pressure, strain effects of hexagonal rare-earth manganites: A first-principles study”

Hengxin Tan, Changsong Xu, Menglei Li*, Shanying Wang, Bing-Lin Gu, Wenhui Duan*

Journal of Physics: Condensed Matter 28, 126002 (2016)

https://doi.org/10.1088/0953-8984/28/12/126002

[4]. “Prediction of a stable post-post-perovskite structure from first principles”

Changsong Xu, Bin Xu, Yurong Yang, Huafeng Dong, Artem R. Oganov, Shanying Wang, Wenhui Duan, Binglin Gu, L. Bellaiche

Physical Review B 91, 020101 (2015)

https://doi.org/10.1103/PhysRevB.91.020101

[3]. “Predicted energetics, properties of rare-earth ferrites films grown on cubic (111)-and hexagonal (0001)-oriented substrates”

Hongjian Zhao, Changsong Xu, Yurong Yang, Wenhui Duan, Xiangming Chen*, L. Bellaiche*

Journal of Physics: Condensed Matter 27, 485901 (2015)

https://doi.org/10.1088/0953-8984/27/48/485901

[2]. “Anomalous properties of hexagonal rare-earth ferrites from first principles”

Changsong Xu, Yurong Yang, Shanying Wang, Wenhui Duan, Bing-Lin Gu, L. Bellaiche

Physical Review B 89, 205122 (2014)

https://doi.org/10.1103/PhysRevB.89.205122

[1]. “Anomalous properties of antiferroelectric PbZrO₃ under hydrostatic pressure”

S. Prosandeev, Changsong Xu, R. Faye, Wenhui Duan, H. Liu, B. Dkhil, P-E Janolin, Jorge Iñiguez, L. Bellaiche

Physical Review B 89, 214111 (2014)

https://doi.org/10.1103/PhysRevB.89.214111