[1] |
Yuan Wen-Ling, Yao Bi-Xia, Li Xi, Hu Shun-Bo, Ren Wei.First principles study on structural stability, mechanical, and thermodynamic properties ofγ'-Co3(V,M) (M= Ti, Ta) phase. Acta Physica Sinica, 2024, 73(8): 086104.doi:10.7498/aps.73.20231755 |
[2] |
Wu Hong-Fen, Feng Pan-Jun, Zhang Shuo, Liu Da-Peng, Gao Miao, Yan Xun-Wang.First-principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2022, 71(3): 036801.doi:10.7498/aps.71.20211631 |
[3] |
Shen Ding, Liu Yao-Han, Tang Shu-Wei, Dong Wei, Sun Wen, Wang Lai-Gui, Yang Shao-Bin.First-principles study of structural stability and lithium storage property of Sinclusters (n≤ 6) adsorbed on graphene. Acta Physica Sinica, 2021, 70(19): 198101.doi:10.7498/aps.70.20210521 |
[4] |
.First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211631 |
[5] |
Liu Qi, Guan Peng-Fei.First principle study on atomic structure of La65X35(X=Ni, Al) metallic glasses. Acta Physica Sinica, 2018, 67(17): 178101.doi:10.7498/aps.67.20180992 |
[6] |
Liu Fu-Ti, Zhang Shu-Hua, Cheng Yan, Chen Xiang-Rong, Cheng Xiao-Hong.Theoretical calculation of electron transport properties of atomic chains of (GaAs)n (n=1-4). Acta Physica Sinica, 2016, 65(10): 106201.doi:10.7498/aps.65.106201 |
[7] |
Luo Zui-Fen, Chen Xing-Yuan, Lin Shi-Yuan, Zhao Yu-Jun.Theoretical study of structural stabilities of BiXO3 (X= Cr, Mn, Fe, Ni). Acta Physica Sinica, 2013, 62(5): 053102.doi:10.7498/aps.62.053102 |
[8] |
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 |
[9] |
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.doi:10.7498/aps.62.056105 |
[10] |
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 |
[11] |
Liu Chun-Hua, Ouyang Chu-Ying, Ji Ying-Hua.First principles investigation of electronic structuresand stabilities of Mg2Ni and its complex hydrides. Acta Physica Sinica, 2011, 60(7): 077103.doi:10.7498/aps.60.077103 |
[12] |
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 |
[13] |
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 |
[14] |
Hu Fang, Ming Xing, Fan Hou-Gang, Chen Gang, Wang Chun-Zhong, Wei Ying-Jin, Huang Zu-Fei.First-principles study on the electronic structures of the ladder compound NaV2O4F. Acta Physica Sinica, 2009, 58(2): 1173-1178.doi:10.7498/aps.58.1173 |
[15] |
Li Ren-Quan, Pan Chun-Ling, Wen Yu-Hua, Zhu Zi-Zhong.The structural stability and magnetism of Ag atomic chains. Acta Physica Sinica, 2009, 58(4): 2752-2756.doi:10.7498/aps.58.2752 |
[16] |
Song Qing-Gong, Wang Yan-Feng, Song Qing-Long, Kang Jian-Hai, Chu Yong.First-principle study on the electronic structures of intercalation compound Ag1/4TiSe2. Acta Physica Sinica, 2008, 57(12): 7827-7832.doi:10.7498/aps.57.7827 |
[17] |
Huang Dan, Shao Yuan-Zhi, Chen Di-Hu, Guo Jin, Li Guang-Xu.First-principles calculation on the electronic structure and absorption spectrum of the wurtzite Zn1-xMgxO alloys. Acta Physica Sinica, 2008, 57(2): 1078-1083.doi:10.7498/aps.57.1078 |
[18] |
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 |
[19] |
Shen Han-Xin, Cai Na-Li, Wen Yu-Hua, Zhu Zi-Zhong.Structural stability and electronic structures of Nb atomic chains. Acta Physica Sinica, 2005, 54(11): 5362-5366.doi:10.7498/aps.54.5362 |
[20] |
Wang Gui-Chun, Yuan Jian-Min.Structure and electronic properties of the low-dimensional copper systems. Acta Physica Sinica, 2003, 52(4): 970-977.doi:10.7498/aps.52.970 |