磁性材料的理论计算

蒋沛恒，西安交通大学特聘研究员，博士生导师。主要从事量子磁性材料理论计算方面的研究工作，重点关注量子磁性材料的微观物理机制及与宏观磁电效应的关联规律。基于第一性原理计算、机器学习、模型分析等多种先进的理论计算模拟技术，探索和自旋相关的新奇量子物态，及其对宏观物性的影响规律。迄今已在Advanced Materials、Nano Letters、Physical Review B、Carbon等期刊发表学术论文40余篇，论文总引用2300余次，H指数为22。

国家自然科学基金项目、陕西省自然科学基金项目、西安交通大学青年拔尖人才计划项目。

[1] Long Wei#, Peiheng Jiang#, Pan Chen, Yuhao Hong, Zhixiong Deng, Tianyang Wang, Wen Xiao, Lei Wang, Yulin Gan, Xuezeng Tian*, Zhicheng Zhong*, Kai Chen*, Zhaoliang Liao*. Hydrogen-Driven Ferromagnetic Insulator in Cobalt Perovskite above Room Temperature, Nano Letters 25, 10478 (2025).

[2] Xuejiao Chen#, Peiheng Jiang#, Jie Li, Zhicheng Zhong*, Yi Lu*, Charge and spin instabilities in superconducting La3Ni2O7, Physical Review B 111, 014515 (2025).

[3] Dachuan Chen, Paul Worm, Liang Si, Chunxiao Zhang, Fenglin Deng, Peiheng Jiang*, Zhicheng Zhong*, Electronic structure of cuprate-nickelate infinite-layer heterostructure, Chinese Physics B 32, 087105 (2023).

[4] Jian Zhong#, Ziang Li#, Yunqi Zheng#, Peiheng Jiang*, Fang Zhang, Ting Zhang, Yuchen Cui, Zhicheng Zhong, Nuofu Chen, Jikun Chen*, Extending the metal to insulator transitions of rare-earth nickelates towards low temperature ranges, Journal of the American Ceramic Society 106, 5067 (2023).

[5] Xuejiao Chen, Peiheng Jiang*, Zhicheng Zhong*, Electron-doping Ruddlesden-Popper nickelate, EPL (Europhysics Letters) 142, 26005 (2023).

[6] Dachuan Chen#, Peiheng Jiang#, Liang Si, Yi Lu*, Zhicheng Zhong*, Magnetism in doped infinite-layer NdNiO2 studied by combined density functional theory and dynamical mean-field theory, Physical Review B 106, 045105 (2022).

[7] Xiaodong Lv#, Xuejiao Chen#, Bingwen Zhang, Peiheng Jiang*, Zhicheng Zhong*, Thickness-Dependent Magnetism and Topological Properties of EuSn2As2, ACS Applied Electronic Materials 4, 3212 (2022).

[8] Fenglin Deng, Peiheng Jiang*, Yi Lu, Zhicheng Zhong*, First-principle study of Sr-doping effect in Nd1-xSrxNiO2, EPL (Europhysics Letters) 135, 67001 (2021).

[9] Peiheng Jiang#, Liang Si#, Zhaoliang Liao, Zhicheng Zhong*, Electronic structure of rare-earth infinite-layer RNiO2 (R = La, Nd), Physical Review B 100, 201106(R) (2019).

[10] Changsheng Song#, Wen Xiao#, Lei Li, Yi Lu, Peiheng Jiang*, Chaorong Li, Aixi Chen*, Zhicheng Zhong*, Tunable band gap and enhanced ferromagnetism by surface adsorption in monolayer Cr2Ge2Te6, Physical Review B 99, 214435 (2019).

[11] Peiheng Jiang#, Cong Wang#, Dachuan Chen, Zhicheng Zhong*, Zhe Yuan, Zhong-Yi Lu, Wei Ji*, Stacking tunable interlayer magnetism in bilayer CrI3, Physical Review B 99, 144401 (2019). (Editors’ Suggestion)

[12] Peiheng Jiang#, Lei Li#, Zhaoliang Liao, Y. X. Zhao, Zhicheng Zhong*, Spin direction-controlled electronic band structure in two-dimensional ferromagnetic CrI3. Nano Letters 18, 6 3844 (2018).

[13] P. H. Jiang, H. J. Liu*, L. Cheng, D. D. Fan, J. Zhang, J. Wei, J. H. Liang. J. Shi. Thermoelectric properties of γ-graphyne from first-principles calculations. Carbon 113, 108 (2017).

[14] P. H. Jiang, H. J. Liu*, D. D. Fan, L. Cheng, J. Wei, J. Zhang, J. H. Liang, J. Shi. Enhanced thermoelectric performance of carbon nanotubes at elevated temperature. Physical Chemistry Chemical Physics 17, 27558 (2015).