[1] |
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 |
[2] |
Li Tian-Jing, Cao Xiu-Xia, Tang Shi-Hui, He Lin, Meng Chuan-Min.Crystal-orientation effects of the optical extinction in shocked Al2O3: a first-principles investigation. Acta Physica Sinica, 2020, 69(4): 046201.doi:10.7498/aps.69.20190955 |
[3] |
Lü Chang-Wei, Wang Chen-Ju, Gu Jian-Bing.First-principles study of structural, elastic, thermodynamic, electronic and optical properties of cubic boron nitride and hexagonal boron nitride at high temperature and high pressure. Acta Physica Sinica, 2019, 68(7): 077102.doi:10.7498/aps.68.20182030 |
[4] |
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 |
[5] |
Liu Bo, Wang Xuan-Jun, Bu Xiao-Yu.First principles investigations of structural, electronic and elastic properties of ammonium perchlorate under high pressures. Acta Physica Sinica, 2016, 65(12): 126102.doi:10.7498/aps.65.126102 |
[6] |
Tang Shi-Hui, Cao Xiu-Xia, He Lin, Zhu Wen-Jun.Effects of vacancy point defects and phase transitions on optical properties of shocked Al2O3. Acta Physica Sinica, 2016, 65(14): 146201.doi:10.7498/aps.65.146201 |
[7] |
Wang Jin-Rong, Zhu Jun, Hao Yan-Jun, Ji Guang-Fu, Xiang Gang, Zou Yang-Chun.First-principles study of the structural, elastic and electronic properties of RhB under high pressure. Acta Physica Sinica, 2014, 63(18): 186401.doi:10.7498/aps.63.186401 |
[8] |
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 |
[9] |
Yan Xiao-Zhen, Kuang Xiao-Yu, Mao Ai-Jie, Kuang Fang-Guang, Wang Zhen-Hua, Sheng Xiao-Wei.First-principles study on the elastic, electronic and thermodynamic properties of ErNi2B2C under high pressure. Acta Physica Sinica, 2013, 62(10): 107402.doi:10.7498/aps.62.107402 |
[10] |
Wang Hai-Yan, Li Chang-Yun, Gao Jie, Hu Qian-Ku, Mi Guo-Fa.First-principles studies of the structural and thermodynamic properties of TiAl3 under high pressure. Acta Physica Sinica, 2013, 62(6): 068105.doi:10.7498/aps.62.068105 |
[11] |
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.doi:10.7498/aps.62.073101 |
[12] |
Chen Zhong-Jun.First principles study of the elastic, electronic and optical properties of MgS under pressure. Acta Physica Sinica, 2012, 61(17): 177104.doi:10.7498/aps.61.177104 |
[13] |
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.doi:10.7498/aps.61.036105 |
[14] |
Ming Xing, Wang Xiao-Lan, Du Fei, Chen Gang, Wang Chun-Zhong, Yin Jian-Wu.Phase transition and properties of siderite FeCO3 under high pressure: an ab initio study. Acta Physica Sinica, 2012, 61(9): 097102.doi:10.7498/aps.61.097102 |
[15] |
Jiao Zhao-Yong, Yang Ji-Fei, Zhang Xian-Zhou, Ma Shu-Hong, Guo Yong-Liang.Theoretical investigation of elastic, electronic, and optical properties of zinc-blende structure GaN under high pressure. Acta Physica Sinica, 2011, 60(11): 117103.doi:10.7498/aps.60.117103 |
[16] |
Zhang Xue-Jun, Gao Pan, Liu Qing-Ju.First-principles study on electronic structure and optical properties of anatase TiO2 codoped with nitrogen and iron. Acta Physica Sinica, 2010, 59(7): 4930-4938.doi:10.7498/aps.59.4930 |
[17] |
Li Pei-Juan, Zhou Wei-Wei, Tang Yuan-Hao, Zhang Hua, Shi Si-Qi.Electronic structure,optical and lattice dynamical properties of CeO2:A first-principles study. Acta Physica Sinica, 2010, 59(5): 3426-3431.doi:10.7498/aps.59.3426 |
[18] |
Li Xiao-Feng, Ji Guang-Fu, Peng Wei-Min, Shen Xiao-Meng, Zhao Feng.Elastic constants, electronic structure and optical properties of solid krypton under pressure by first-principles calculations. Acta Physica Sinica, 2009, 58(4): 2660-2666.doi:10.7498/aps.58.2660 |
[19] |
Ding Ying-Chun, Xu Ming, Pan Hong-Zhe, Shen Yi-Bin, Zhu Wen-Jun, He Hong-Liang.Electronic structure and physical properties of γ-Si3N4 under high pressure. Acta Physica Sinica, 2007, 56(1): 117-122.doi:10.7498/aps.56.117 |
[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 |