[1] |
Liu Jun-Ling, Bai Yu-Jie, Xu Ning, Zhang Qin-Fang.First-principles study on electronic structure of GaS/Mg(OH)2heterostructure. Acta Physica Sinica, 2024, 73(13): 137103.doi:10.7498/aps.73.20231979 |
[2] |
Lin Hong-Bin, Lin Chun, Chen Yue, Zhong Ke-Hua, Zhang Jian-Min, Xu Gui-Gui, Huang Zhi-Gao.First-principles study of effect of Mg doping on structural stability and electronic structure of LiCoO2cathode material. Acta Physica Sinica, 2021, 70(13): 138201.doi:10.7498/aps.70.20210064 |
[3] |
Ding Chao, Li Wei1\2\3, Liu Ju-Yan, Wang Lin-Lin, Cai Yun, Pan Pei-Feng.First principle study of electronic structure of Sb, S Co-doped SnO2. Acta Physica Sinica, 2018, 67(21): 213102.doi:10.7498/aps.67.20181228 |
[4] |
Hu Jie-Qiong, Xie Ming, Chen Jia-Lin, Liu Man-Men, Chen Yong-Tai, Wang Song, Wang Sai-Bei, Li Ai-Kun.First principles study of electronic and elastic properties of Ti3AC2 (A = Si, Sn, Al, Ge) phases. Acta Physica Sinica, 2017, 66(5): 057102.doi:10.7498/aps.66.057102 |
[5] |
Yan Song-Ling, Tang Li-Ming, Zhao Yu-Qing.First-principles study of the electronic properties and magnetism of LaMnO3/SrTiO3 heterointerface with the different component thickness ratios. Acta Physica Sinica, 2016, 65(7): 077301.doi:10.7498/aps.65.077301 |
[6] |
Ma Zhen-Ning, Jiang Min, Wang Lei.First-principles study of electronic structures and phase stabilities of ternary intermetallic compounds in the Mg-Y-Zn alloys. Acta Physica Sinica, 2015, 64(18): 187102.doi:10.7498/aps.64.187102 |
[7] |
Xu Jing, Liang Jia-Qing, Li Hong-Ping, Li Chang-Sheng, Liu Xiao-Juan, Meng Jian.First-principles study on the electronic structure of Ti-doped NbSe2. Acta Physica Sinica, 2015, 64(20): 207101.doi:10.7498/aps.64.207101 |
[8] |
Xie Zhi, Cheng Wen-Dan.First-principles study of electronic structure and optical properties of TiO2 nanotubes. Acta Physica Sinica, 2014, 63(24): 243102.doi:10.7498/aps.63.243102 |
[9] |
Cheng Xu-Dong, Wu Hai-Xin, Tang Xiao-Lu, Wang Zhen-You, Xiao Rui-Chun, Huang Chang-Bao, Ni You-Bao.First principles study on the electronic structures and optical properties of Na2Ge2Se5. Acta Physica Sinica, 2014, 63(18): 184208.doi:10.7498/aps.63.184208 |
[10] |
Wu Mu-Sheng, Xu Bo, Liu Gang, Ouyang Chu-Ying.First-principles study on the electronic structures of Cr- and W-doped single-layer MoS2. Acta Physica Sinica, 2013, 62(3): 037103.doi:10.7498/aps.62.037103 |
[11] |
Huang You-Lin, Hou Yu-Hua, Zhao Yu-Jun, Liu Zhong-Wu, Zeng De-Chang, Ma Sheng-Can.Influences of strain on electronic structure and magnetic properties of CoFe2O4 from first-principles study. Acta Physica Sinica, 2013, 62(16): 167502.doi:10.7498/aps.62.167502 |
[12] |
Liu Feng-Li, Jiang Gang, Bai Li-Na, Kong Fan-Jie.First-principles study on the electronic structures of diadochic compounds Bi2Te3- x Sex(x ≤3). Acta Physica Sinica, 2011, 60(3): 037104.doi:10.7498/aps.60.037104 |
[13] |
Yu Ben-Hai, Liu Mo-Lin, Chen Dong.First principles study of structural, electronic and elastic properties of Mg2 Si polymorphs. Acta Physica Sinica, 2011, 60(8): 087105.doi:10.7498/aps.60.087105 |
[14] |
Wang Yu-Mei, Pei Hui-Xia, Ding Jun, Wen Li-Wei.First-principles study of magnetism and electronic structureof Sb-containing half-Heusler alloys. Acta Physica Sinica, 2011, 60(4): 047110.doi:10.7498/aps.60.047110 |
[15] |
Nie Zhao-Xiu, Wang Feng, Cheng Zhi-Mei, Liu Gao-Bin, Wang Xin-Qiang.First principles study on half-metallic ferromagnetismof ternary compounds ZnVSe. Acta Physica Sinica, 2011, 60(4): 046301.doi:10.7498/aps.60.046301 |
[16] |
Yu Da-Long, Chen Yu-Hong, Cao Yi-Jie, Zhang Cai-Rong.Ab initio structural simulation and electronic structure of lithium imide. Acta Physica Sinica, 2010, 59(3): 1991-1996.doi:10.7498/aps.59.1991 |
[17] |
Luo Li-Jin, Zhong Chong-Gui, Jiang Xue-Fan, Fang Jing-Huai, Jiang Qing.A first-principles study of electronic structure, magnetism, response to pressure and tetragonal distortions of Ni2MnSi Heusler alloy. Acta Physica Sinica, 2010, 59(1): 521-526.doi:10.7498/aps.59.521 |
[18] |
Liu Na-Na, Song Ren-Bo, Sun Han-Ying, Du Da-Wei.The electronic structure and thermodynamic properties of Mg2Sn from first-principles calculations. Acta Physica Sinica, 2008, 57(11): 7145-7150.doi:10.7498/aps.57.7145 |
[19] |
Duan Man-Yi, Xu Ming, Zhou Hai-Ping, Shen Yi-Bin, Chen Qing-Yun, Ding Ying-Chun, Zhu Wen-Jun.First-principles study on the electronic structure and optical properties of ZnO doped with transition metal and N. Acta Physica Sinica, 2007, 56(9): 5359-5365.doi:10.7498/aps.56.5359 |
[20] |
Pan Zhi-Jun, Zhang Lan-Ting, Wu Jian-Sheng.A first-principle study of electronic and geometrical structures of semiconducting β-FeSi2 with doping. Acta Physica Sinica, 2005, 54(11): 5308-5313.doi:10.7498/aps.54.5308 |