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Zhang Lei, Chen Qi-Hang, Cao Shuo, Qian Ping. First-principles calculations of carrier mobility in monolayer IrSCl and IrSI. Acta Physica Sinica,
2024, 73(21): 217201.
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Zhang Qiao, Tan Wei, Ning Yong-Qi, Nie Guo-Zheng, Cai Meng-qiu, Wang Jun-Nian, Zhu Hui-Ping, Zhao Yu-Qing. Prediction of Magnetic Janus Materials Based on Machine Learning and First-Principles Calculations. Acta Physica Sinica,
2024, 73(23): 230201.
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Yang Hai-Lin, Chen Qi-Li, Gu Xing, Lin Ning. First-principles calculations of O-atom diffusion on fluorinated graphene. Acta Physica Sinica,
2023, 72(1): 016801.
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Lü Cheng-Ye, Chen Ying-Wei, Xie Mu-Ting, Li Xue-Yang, Yu Hong-Yu, Zhong Yang, Xiang Hong-Jun. First-principles calculation method for periodic system under external electromagnetic field. Acta Physica Sinica,
2023, 72(23): 237102.
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Zhou Chang, Gong Rui, Feng Xiao-Bo. Theoretical studies on optical absorption in twisted bilayer graphene under vertical electric field. Acta Physica Sinica,
2022, 71(5): 054203.
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Wang Yan, Chen Nan-Di, Yang Chen, Zeng Zhao-Yi, Hu Cui-E, Chen Xiang-Rong. Thermoelectric transport properties of two-dimensional materials XTe2 (X = Pd, Pt) via first-principles calculations. Acta Physica Sinica,
2021, 70(11): 116301.
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Luan Li-Jun, He Yi, Wang Tao, Liu Zong-Wen. First-principles study of e interface interaction and photoelectric properties of the solar cell heterojunction CdS/CdMnTe. Acta Physica Sinica,
2021, 70(16): 166302.
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Wang Qi, Tang Fa-Wei, Hou Chao, Lü Hao, Song Xiao-Yan. First-principles calculations of solute-segreagtion of W-In alloys at grain boundaries. Acta Physica Sinica,
2019, 68(7): 077101.
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Wang Yan, Cao Qian-Hui, Hu Cui-E, Zeng Zhao-Yi. First-principles calculations of high pressure phase transition of Ce-La-Th alloy. Acta Physica Sinica,
2019, 68(8): 086401.
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Zhang Zhao-Fu, Geng Zhao-Hui, Wang Peng, Hu Yao-Qiao, Zheng Yu-Fei, Zhou Tie-Ge. Properties of 5d atoms doped boron nitride nanotubes：a first-principles calculation and molecular orbital analysis. Acta Physica Sinica,
2013, 62(24): 246301.
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Zhang Zhao-Fu, Zhou Tie-Ge, Zuo Xu. First-principles calculations of h-BN monolayers by doping with oxygen and sulfur. Acta Physica Sinica,
2013, 62(8): 083102.
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Deng Jiao-Jiao, Liu Bo, Gu Mu, Liu Xiao-Lin, Huang Shi-Ming, Ni Chen. First principles calculation of electronic structures and optical properties for -CuX(X = Cl, Br, I). Acta Physica Sinica,
2012, 61(3): 036105.
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Yu Dong-Qi, Zhang Zhao-Hui. First principles calculations of interaction between an armchair-edge graphene nanoribbon and its graphite substrate. Acta Physica Sinica,
2011, 60(3): 036104.
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Lü Quan, Huang Wei-Qi, Wang Xiao-Yun, Meng Xiang-Xiang. The first-principle calculations and analysis on density of states of silion plane (111) formed by nitrogen film. Acta Physica Sinica,
2010, 59(11): 7880-7884.
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Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai. Effect of Nb on electronic structure of NiTi intermetallic compound: A first-principles study. Acta Physica Sinica,
2010, 59(1): 515-520.
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Tan Xing-Yi, Jin Ke-Xin, Chen Chang-Le, Zhou Chao-Chao. Electronic structure of YFe2B2by first-principles calculation. Acta Physica Sinica,
2010, 59(5): 3414-3417.
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Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai. Effect of Nb doping on electronic structure of TiO2/NiTi interface: A first-principle study. Acta Physica Sinica,
2008, 57(12): 7794-7799.
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Liu Li-Hua, Zhang Ying, Lü Guang-Hong, Deng Sheng-Hua, Wang Tian-Min. First-principles study of the effects of Sr segregated on Al grain boundary. Acta Physica Sinica,
2008, 57(7): 4428-4433.
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Sun Bo, Liu Shao-Jun, Duan Su-Qing, Zhu Wen-Jun. First-principles calculations of structures, properties and high pressures effects of Fe. Acta Physica Sinica,
2007, 56(3): 1598-1602.
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