[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] |
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 |
[3] |
Wu Ruo-Xi, Liu Dai-Jun, Yu Yang, Yang Tao.First-principles investigations on structure and thermodynamic properties of CaS under high pressures. Acta Physica Sinica, 2016, 65(2): 027101.doi:10.7498/aps.65.027101 |
[4] |
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 |
[5] |
Luo Zui-Fen, Cen Wei-Fu, Fan Meng-Hui, Tang Jia-Jun, Zhao Yu-Jun.First-principles study of electronic and optical properties of BiTiO3. Acta Physica Sinica, 2015, 64(14): 147102.doi:10.7498/aps.64.147102 |
[6] |
Cheng He-Ping, Dan Jia-Kun, Huang Zhi-Meng, Peng Hui, Chen Guang-Hua.First-principles study on the electronic structure and optical properties of RDX. Acta Physica Sinica, 2013, 62(16): 163102.doi:10.7498/aps.62.163102 |
[7] |
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 |
[8] |
Zhou Ping, Wang Xin-Qiang, Zhou Mu, Xia Chuan-Hui, Shi Ling-Na, Hu Cheng-Hua.First-principles study of pressure induced phase transition, electronic structure and elastic properties of CdS. Acta Physica Sinica, 2013, 62(8): 087104.doi:10.7498/aps.62.087104 |
[9] |
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 |
[10] |
Song Qing-Gong, Liu Li-Wei, Zhao Hui, Yan Hui-Yu, Du Quan-Guo.First-principles study on the electronic structure and optical properties of YFeO3. Acta Physica Sinica, 2012, 61(10): 107102.doi:10.7498/aps.61.107102 |
[11] |
Su Rui, Long Yao, Jiang Sheng-Li, He Jie, Chen Jun.Elastic properties of β-HMX under extra pressure: a first principles study. Acta Physica Sinica, 2012, 61(20): 206201.doi:10.7498/aps.61.206201 |
[12] |
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 |
[13] |
Liu Jian-Jun.First-principles calculation of electronic structure of (Zn,Al)O and analysis of its conductivity. Acta Physica Sinica, 2011, 60(3): 037102.doi:10.7498/aps.60.037102 |
[14] |
Ma Guo-Jia, Zhu Jia-Qi, Gong Shui-Li, Gao Wei.First principles studies of nitrogen doped tetrahedral amorphous carbon. Acta Physica Sinica, 2011, 60(2): 027104.doi:10.7498/aps.60.027104 |
[15] |
Luo Li-Jin, Zhong Chong-Gui, Fang Jing-Huai, Zhao Yong-Lin, Zhou Peng-Xia, Jiang Xue-Fan.Responses of electronic structure and magnetism to tetragonal distortion and their influence on pressure for the Heusler alloy Mn2 NiAl. Acta Physica Sinica, 2011, 60(12): 127502.doi:10.7498/aps.60.127502 |
[16] |
Zhao Kun, Zhang Kun, Wang Jia-Jia, Yu Jin, Wu San-Xie.A first principles study on tetragonal distortion, magnetic property and elastic constants of Pd2 CrAl Heusler alloy. Acta Physica Sinica, 2011, 60(12): 127101.doi:10.7498/aps.60.127101 |
[17] |
Jiang Xue-Fan, Luo Li-Jin, Jiang Qing, Zhong Chong-Gui, Tan Zhi-Zhong, Quan Hong-Rui.First-principle prediction of magnetic shape memory effect of Heusler alloy Mn2NiGe. Acta Physica Sinica, 2010, 59(11): 8037-8041.doi:10.7498/aps.59.8037 |
[18] |
Song Jiu-Xu, Yang Yin-Tang, Liu Hong-Xia, Zhang Zhi-Yong.First-principles study of the electonic structure of nitrogen-doped silicon carbide nanotubes. Acta Physica Sinica, 2009, 58(7): 4883-4887.doi:10.7498/aps.58.4883 |
[19] |
Ni Jian-Gang, Liu Nuo, Yang Guo-Lai, Zhang Xi.First-principle study on electronic structure of BaTiO3 (001) surfaces. Acta Physica Sinica, 2008, 57(7): 4434-4440.doi:10.7498/aps.57.4434 |
[20] |
Pan Zhi-Jun, Zhang Lan-Ting, Wu Jian-Sheng.First-principles study of electronic structure for CoSi. Acta Physica Sinica, 2005, 54(1): 328-332.doi:10.7498/aps.54.328 |