[1] |
Yan Zhi, Fang Cheng, Wang Fang, Xu Xiao-Hong.First-principles calculations of structural and magnetic properties of SmCo3alloys doped with transition metal elements. Acta Physica Sinica, 2024, 73(3): 037502.doi:10.7498/aps.73.20231436 |
[2] |
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.doi:10.7498/aps.72.20231313 |
[3] |
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 |
[4] |
Yang Shun-Jie, Li Chun-Mei, Zhou Jin-Ping.First-principles study of magnetic disordering and alloying effects on phase stability and elastic constants of Co2CrZ(Z= Ga, Si, Ge) alloys. Acta Physica Sinica, 2022, 71(10): 106201.doi:10.7498/aps.71.20212254 |
[5] |
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.doi:10.7498/aps.71.20211796 |
[6] |
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.doi:10.7498/aps.70.20210268 |
[7] |
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.doi:10.7498/aps.68.20190056 |
[8] |
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 borocarbidesTM3B3C andTM4B3C2compound. Acta Physica Sinica, 2019, 68(9): 096201.doi:10.7498/aps.68.20190158 |
[9] |
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.doi:10.7498/aps.68.20182128 |
[10] |
Ye Hong-Jun, Wang Da-Wei, Jiang Zhi-Jun, Cheng Sheng, Wei Xiao-Yong.Ferroelectric phase transition of perovskite SnTiO3 based on the first principles. Acta Physica Sinica, 2016, 65(23): 237101.doi:10.7498/aps.65.237101 |
[11] |
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.doi:10.7498/aps.62.083102 |
[12] |
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.doi:10.7498/aps.62.246301 |
[13] |
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.doi:10.7498/aps.59.7880 |
[14] |
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.doi:10.7498/aps.59.3414 |
[15] |
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.doi:10.7498/aps.59.4919 |
[16] |
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.doi:10.7498/aps.59.515 |
[17] |
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.doi:10.7498/aps.57.7794 |
[18] |
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.doi:10.7498/aps.57.4428 |
[19] |
Gong Chang-Wei, Wang Yi-Nong, Yang Da-Zhi.Ab initio study of the martensitic transformation of NiTi shape memory alloys. Acta Physica Sinica, 2006, 55(6): 2877-2881.doi:10.7498/aps.55.2877 |
[20] |
Sun Bo, Liu Shao-Jun, Zhu Wen-Jun.The division of iron's core and valence states under high pressures via first-principles calculation. Acta Physica Sinica, 2006, 55(12): 6589-6594.doi:10.7498/aps.55.6589 |