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Yan Zhi, Fang Cheng, Wang Fang, Xu Xiao-Hong. First-principles calculations of structural and magnetic properties of SmCo3 alloys doped with transition metal elements. Acta Physica Sinica,
2024, 73(3): 037502.
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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.
doi: 10.7498/aps.72.20221630
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Zhou Jin-Ping, Li Chun-Mei, Jiang Bo, Huang Ren-Zhong. First-principles study of Co and Ni excess effects on crystal structure and phase stability of Co2NiGa alloy. Acta Physica Sinica,
2023, 72(15): 156301.
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Deng Xu-Liang, Ji Xian-Fei, Wang De-Jun, Huang Ling-Qin. First principle study on modulating of Schottky barrier at metal/4H-SiC interface by graphene intercalation. Acta Physica Sinica,
2022, 71(5): 058102.
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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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Hu Qian-Ku, Hou Yi-Ming, Wu Qing-Hua, Qin Shuang-Hong, Wang Li-Bo, Zhou Ai-Guo. Theoretical calculations of stabilities and properties of transition metal borocarbides TM3B3C and TM4B3C2 compound. Acta Physica Sinica,
2019, 68(9): 096201.
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Zhang Shu-Ting, Sun Zhi, Zhao Lei. First-principles study of graphene nanoflakes with large spin property. Acta Physica Sinica,
2018, 67(18): 187102.
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Yuan Zhen-Kun, Xu Peng, Chen Shi-You. Computational prediction of lattice defects in multinary compound semiconductors as photovoltaic materials. Acta Physica Sinica,
2015, 64(18): 186102.
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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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Jiao Zhao-Yong, Guo Yong-Liang, Niu Yi-Jun, Zhang Xian-Zhou. The first principle study of electronic and optical properties of defect chalcopyrite XGa2S4 (X=Zn, Cd, Hg). Acta Physica Sinica,
2013, 62(7): 073101.
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Wang Ping, Guo Li-Xin, Yang Yin-Tang, Zhang Zhi-Yong. First-principles study on electronic structures of Al, N Co-doped ZnO nanotubes. Acta Physica Sinica,
2013, 62(5): 056105.
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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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Zhao Hua-Bo, Wang Liang, Zhang Zhao-Hui. Effect of palladium adsorption on the electrical transport of semiconducting carbon nanotubes. Acta Physica Sinica,
2011, 60(8): 087302.
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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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Yang Tian-Xing, Cheng Qiang, Xu Hong-Bin, Wang Yuan-Xu. First-principles study of elastic and electronic properties of several ternary transition-metal carbides. Acta Physica Sinica,
2010, 59(7): 4919-4924.
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Ding Hang-Chen, Shi Si-Qi, Jiang Ping, Tang Wei-Hua. First-principles investigation on the phase transitions of BiFeO3. Acta Physica Sinica,
2010, 59(12): 8789-8793.
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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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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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Hou Qing-Yu, Zhang Yue, Chen Yue, Shang Jia-Xiang, Gu Jing-Hua. Effects of the concentration of oxygen vacancy of anatase on electric conducting performance studied by frist principles calculations. Acta Physica Sinica,
2008, 57(1): 438-442.
doi: 10.7498/aps.57.438
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