[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] |
Luo Ya, Zhang Yun, Liang Jin-Ling, Liu Lin-Feng.First-principles study of Cu:Fe:Mg:LiNbO3crystals. Acta Physica Sinica, 2020, 69(5): 054205.doi:10.7498/aps.69.20191799 |
[3] |
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 |
[4] |
Hou Qing-Yu, Dong Hong-Ying, Ma Wen, Zhao Chun-Wang.First-principle study on the effect of high Ga doping on the optical band gap and the band-edge of optical absorption of ZnO. Acta Physica Sinica, 2013, 62(15): 157101.doi:10.7498/aps.62.157101 |
[5] |
Qian Shuai, Guo Xin-Li, Wang Jia-Jia, Yu Xin-Quan, Wu San-Xie, Yu Jin.First principles study of structures, static polarizabilities and optical absorption spectra of Cun-1Au (n=2–10) clusters. Acta Physica Sinica, 2013, 62(5): 057803.doi:10.7498/aps.62.057803 |
[6] |
Hou Qing-Yu, Dong Hong-Ying, Ying Chun, Ma Wen.First-principles study on the effect of high Mn doped on the band gap and absorption spectrum of ZnO. Acta Physica Sinica, 2013, 62(3): 037101.doi:10.7498/aps.62.037101 |
[7] |
Li Zhi-Min, Shi Jian-Zhang, Wei Xiao-Hei, Li Pei-Xian, Huang Yun-Xia, Li Gui-Fang, Hao Yue.First principles calculation of electronic structure for Al-doped 3C-SiC and its microwave dielectric properties. Acta Physica Sinica, 2012, 61(23): 237103.doi:10.7498/aps.61.237103 |
[8] |
Wang Yin, Feng Qing, Wang Wei-Hua, Yue Yuan-Xia.First-principles study on the electronic and optical property of C-Zn co-doped anatase TiO2. Acta Physica Sinica, 2012, 61(19): 193102.doi:10.7498/aps.61.193102 |
[9] |
Hou Qing-Yu, Dong Hong-Ying, Ying Chun, Ma Wen.First-principles study on the effects of high Al doped on the band gap and absorption spectrum of ZnO. Acta Physica Sinica, 2012, 61(16): 167102.doi:10.7498/aps.61.167102 |
[10] |
Li Cong, Hou Qing-Yu, Zhang Zhen-Duo, Zhao Chun-Wang, Zhang Bing.First-principles study on the electronic structures and absorption spectra of Sm-N codoped anatase TiO2. Acta Physica Sinica, 2012, 61(16): 167103.doi:10.7498/aps.61.167103 |
[11] |
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 |
[12] |
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 |
[13] |
Xu Ling, Tang Chao-Qun, Qian Jun.The first-principles study of absorption spectrum of C-doped anatase TiO2. Acta Physica Sinica, 2010, 59(4): 2721-2727.doi:10.7498/aps.59.2721 |
[14] |
Zhang Ji-Hua, Ding Jian-Wen, Lu Zhang-Hui.First-principles study of electrical structures and optical properties of Co:MgF2 crystal. Acta Physica Sinica, 2009, 58(3): 1901-1907.doi:10.7498/aps.58.1901 |
[15] |
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 |
[16] |
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 |
[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] |
Hou Qing-Yu, Zhang Yue, Zhang Tao.First-principles research on the effect of high oxygen vacancy concentration in anatase TiO2 on Mott phase transition, absorption spectrum Einstein shift and life_time of electrons. Acta Physica Sinica, 2008, 57(3): 1862-1866.doi:10.7498/aps.57.1862 |
[19] |
Hou Qing-Yu, Zhang Yue, Zhang Tao.First principle study on the electron life span of degenerate anatase phase TiO2 semi-conductor with high concentration of oxygen vacancies. Acta Physica Sinica, 2008, 57(5): 3155-3159.doi:10.7498/aps.57.3155 |
[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 |