^#共同一作， *通讯作者

    [36] Xuejian Qin, Hongyu Wu, Guoyong Shi, Chao Zhang, Peiheng Jiang, Zhicheng Zhong, Zero-point quantum diffusion of protons in the hydrogen-rich superconductor  from first principles, Physical Review B 108, 064102 (2023).

     [35] 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).

[34] 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).

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

[32] Hui Du, Fang Yang*, Chenyang Yao, Zhicheng Zhong, Peiheng Jiang, Stefan G Stanciu, Hao Peng, Jiapeng Hu, Bo Jiang, Zihou Li, Wenhao Lv, Fang Zheng, Harald A Stenmark, Aiguo Wu*, Multifunctional Modulation of High-Performance Zn_xFe_3−xO₄ Nanoparticles by Precisely Tuning the Zinc Doping Content, Small 18, 2201669 (2022).

[31] 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).

[30] 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).

[29] Xiaorong Zhou, Xiaowei Zhang, Jiabao Yi, Peixin Qin, Zexin Feng, Peiheng Jiang, Zhicheng Zhong, Han Yan, Xiaoning Wang, Hongyu Chen, Haojiang Wu, Xin Zhang, Ziang Meng, Xiaojiang Yu, Mark BH Breese, Jiefeng Cao, Jingmin Wang, Chengbao Jiang, Zhiqi Liu*, Antiferromagnetism in Ni-Based Superconductors, Advanced Materials 34, 2106117 (2022).

[28] Huali Yang^#, Qing Liu^#, Zhaoliang Liao^#, Liang Si, Peiheng Jiang, Xiaolei Liu, Yanfeng Guo, Junjie Yin, Meng Wang, Zhigao Sheng, Yuxin Zhao, Zhiming Wang, Zhicheng Zhong*, Run-Wei Li*, Colossal angular magnetoresistance in the antiferromagnetic semiconductor EuTe₂, Physical Review B 104, 214419 (2021).

[27] Fenglin Deng, Peiheng Jiang*, Yi Lu, Zhicheng Zhong*, First-principle study of Sr-doping effect in Nd_1-xSr_xNiO₂, EPL (Europhysics Letters) 135, 67001 (2021).

[26] Zengxing Lu, Jingwu Liu, Lijie Wen, Jiatai Feng, Shuai Kong, Xuan Zheng, Sheng Li, Peiheng Jiang, Zhicheng Zhong, Junfa Zhu, Xianfeng Hao*, Zhiming Wang*, Run-Wei Li, Lateral Modulation of Magnetic Anisotropy in Tricolor 3d-5d Oxide Superlattices, ACS Applied Electronic Materials 3, 4210 (2021).

[25] Weinan Lin, Liang Liu, Qing Liu, Lei Li, Xinyu Shu, Changjian Li, Qidong Xie, Peiheng Jiang, Xuan Zheng, Rui Guo, Zhishiuh Lim, Shengwei Zeng, Guowei Zhou, Han Wang, Jing Zhou, Ping Yang, Stephen J Pennycook, Xiaohong Xu, Zhicheng Zhong*, Zhiming Wang*, Jingsheng Chen*, Electric Field Control of the Magnetic Weyl Fermion in an Epitaxial SrRuO₃ (111) Thin Film, Advanced Materials 33, 2101316 (2021).

[24] Mingqiang Ning, Peiheng Jiang, Wei Ding, Xuebin Zhu, Guoguo Tan, Qikui Man, Jingbo Li, Run-Wei Li, Phase Manipulating toward Molybdenum Disulfide for Optimizing Electromagnetic Wave Absorbing in Gigahertz, Advanced Functional Materials 31, 2011229 (2021).

[23] Ri He, Peiheng Jiang, Yi Lu, Yidao Song, Mingxing Chen, Mingliang Jin, Lingling Shui*, Zhicheng Zhong*, Polarity-induced electronic and atomic reconstruction at NdNiO₂/SrTiO₃ interfaces, Physical Review B 102, 035118 (2020).

[22] Jingdi Lu^#, Liang Si^#, Xiefei Yao^#, Chengfeng Tian^#, Jing Wang^#, Qinghua Zhang^#, Zhengxun Lai, Iftikhar Ahmed Malik, Xin Liu, Peiheng Jiang, Kejia Zhu, Youguo Shi, Zhenlin Luo, Lin Gu, Karsten Held, Wenbo Mi, Zhicheng Zhong*, Ce-Wen Nan, Jinxing Zhang*, Electric field controllable high-spin SrRuO₃ driven by a solid ionic junction, Physical Review B 101, 214401 (2020). (Editors’ Suggestion)

[21] Zhaoliang Liao, Peiheng Jiang, Zhicheng Zhong*, Run-Wei Li, Materials with strong spin-textured bands, npj Quantum Materials, 5, 30 (2020).

[20] 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).

[19] 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).

[18] 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)

[17] 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).

[16] D. D. Fan, H. J. Liu*, L. Cheng, J. H. Liang, P. H. Jiang. First-principles study of the effects of electron-phonon coupling on the thermoelectric properties: a case study of SiGe compound. Journal of Materials Chemistry A 6, 12125 (2018).

[15] S. Huang, H. J. Liu*, D. D. Fan, P. H. Jiang, J. H. Liang, G. H. Cao, R. Z. Liang, J. Shi. First-Principles Study of the Thermoelectric Properties of the Zintl Compound KSnSb. The Journal of Physical Chemistry C 122, 4217 (2018).

[14] Jinghua Liang, Huijun Liu*, Dengdong Fan, Peiheng Jiang. Large-scale calculations of thermoelectric transport coefficients: a case study of γ-graphyne with point defects. Journal of Physics: Condensed Matter 29, 455901 (2017). 

[13] L. Cheng, H. J. Liu*, J. H. Liang, J. Zhang, J. Wei, P. H. Jiang, D. D. Fan. Effects of topological edge states on the thermoelectric properties of Bi nanoribbons. Physics Letters A 381, 3167 (2017).

[12] J. H. Liang, D. D. Fan, P. H. Jiang, H. J. Liu*, W. Y. Zhao. First-principles study of the thermoelectric properties of intermetallic compound YbAl₃. Intermetallics 87, 27 (2017).

[11] J. Zhang, H. J. Liu*, L. Cheng, J. Wei, J. H. Liang, D. D. Fan, P. H. Jiang, J. Shi. Thermal conductivities of phosphorene allotropes from first-principle calculations: a comparative study. Scientific Reports 7, 4623 (2017).

[10] J. Wei, H. J. Liu*. L. Cheng, J. Zhang, P. H. Jiang, J. H. Liang, D. D. Fan, J. Shi. Molecular dynamics simulations of the lattice thermal conductivity of CuInTe₂. Physics Letters A 381, 1611 (2017).

[9] 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).

[8] D. D. Fan, H. J. Liu*, L. Cheng, J. Zhang, P. H. Jiang, J. Wei, J. H. Liang, J. Shi. Understanding the electronic and phonon transport properties of thermoelectric material BiCuSeO: a first-principles study. Physical Chemistry Chemical Physics 19, 12913 (2017).

[7] C. Y. Sheng, H. J. Liu*, D. D. Fan, L. Cheng, J. Zhang, J. Wei, J. H. Liang, P. H. Jiang, J. Shi. Predicting the optimized thermoelectric performance of MgAgSb. Journal of Applied Physics 119, 195101 (2016).

[6] L. Cheng, H. J. Liu*, J. Zhang, J. Wei, J. H. Liang, P. H. Jiang, D. D. Fan, L. Sun, J. Shi. High thermoelectric performance of the distorted bismuth (110) layer. Physical Chemistry Chemical Physics 18, 17373 (2016).

[5] J. Zhang, H. J. Liu*, L. Cheng, J. Wei, J. H. Liang, D. D. Fan, P. H. Jiang, L. Sun, J. Shi. High thermoelectric performance can be achieved in black phosphorus. Journal of Materials Chemistry C 4, 991 (2016). 

[4] 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).

[3] J. Wei, H. J. Liu*, L. Cheng, J. Zhang, J. H. Liang, P. H. Jiang, D. D. Fan, J. Shi. Tuning the carrier concentration to improve the thermoelectric performance of CuInTe₂ compound. AIP Advances 5, 107230 (2015).

[2] L. Sun, P. H. Jiang, H. J. Liu*, D. D. Fan, J. H. Liang, J. Wei, L. Cheng, J. Zhang, J. Shi. Graphdiyne: a promising thermoelectric material with high figure of merit. Carbon 90, 255 (2015).

[1] D. D. Fan, H. J. Liu*, L. Cheng, P. H. Jiang, J. Shi, X. F. Tang. MoS2 nanoribbons as promising thermoelectric materials. Applied Physics Letters 105, 133113 (2014).