[1] |
Xu Xian-Da, Zhao Lei, Sun Wei-Feng.First-principles on the energy band mechanism for modifying conduction property of graphene nanomeshes. Acta Physica Sinica, 2020, 69(4): 047101.doi:10.7498/aps.69.20190657 |
[2] |
Li Lin, Sun Yu-Xuan, Sun Wei-Feng.First-principles study of electronic structure, magnetic and optical properties of laminated molybdenum oxides. Acta Physica Sinica, 2019, 68(5): 057101.doi:10.7498/aps.68.20181962 |
[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] |
Liu Hui-Ying, Zhang Xiu-Qin, Fang Yi-Mei, Zhu Zi-Zhong.Structural and electronic properties of T-graphene and its derivatives. Acta Physica Sinica, 2017, 66(16): 166101.doi:10.7498/aps.66.166101 |
[6] |
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 |
[7] |
Gao Tan-Hua.Structural and electronic properties of hydrogenated bilayer silicene. Acta Physica Sinica, 2015, 64(7): 076801.doi:10.7498/aps.64.076801 |
[8] |
Gao Tan-Hua, Wu Shun-Qing, Zhang Peng, Zhu Zi-Zhong.Structural and electronic properties of hydrogenated bilayer boron nitride. Acta Physica Sinica, 2014, 63(1): 016801.doi:10.7498/aps.63.016801 |
[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] |
Wang Ru-Zhi, Xu Li-Chun, Yan Hui, Kohyama Masanori.First-principles predictions for the tensile strength of Al metal with dislocations of twist grain boundaries. Acta Physica Sinica, 2012, 61(2): 026801.doi:10.7498/aps.61.026801 |
[11] |
Li Rong, Luo Xiao-Ling, Liang Guo-Ming, Fu Wen-Sheng.Influence of doped rare earth elements on the dehydrogenation properties of VH2. Acta Physica Sinica, 2012, 61(9): 093601.doi:10.7498/aps.61.093601 |
[12] |
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 |
[13] |
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 |
[14] |
.Simulative calculation of electronic structure of F-doped SnO2. Acta Physica Sinica, 2007, 56(12): 7195-7200.doi:10.7498/aps.56.7195 |
[15] |
Wang Song-You, Duan Guo-Yu, Qiu Jian-Hong, Jia Yu, Chen Liang-Yao.PtN in zinc-blende structure: An unstable metallic transition-metal nitride compound. Acta Physica Sinica, 2006, 55(4): 1979-1982.doi:10.7498/aps.55.1979 |
[16] |
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 |
[17] |
Xu Xiao-Guang, Wang Chun-Zhong, Liu Wei, Meng Xing, Sun Yuan, Chen Gang.Ab initio study of the effects of Mg doping on electronic structure of Li(Co , Al)O2. Acta Physica Sinica, 2005, 54(1): 313-316.doi:10.7498/aps.54.313 |
[18] |
Xu Xiao-Guang, Wei Ying-Jin, Meng Xing, Wang Chun-Zhong, Huang Zu-Fei, Chen Gang.Ab initio study of the effects of Mg, Al dopingon the electronic structure of LiCoO2. Acta Physica Sinica, 2004, 53(1): 210-213.doi:10.7498/aps.53.210 |
[19] |
Meng Xing, Xu Xiao-Guang, Liu Wei, Sun Yuan, Chen Gang.First-principles investigation of charge disproportionation in HoNiO_3 perovskite. Acta Physica Sinica, 2004, 53(11): 3873-3876.doi:10.7498/aps.53.3873 |
[20] |
Liu Hui-Ying, Hou Zhu-Feng, Zhu Zi-Zhong, Huang Mei-Chun, Yang Yong.First-principles calculation on the formation energies oflithium insertion in In Sb. Acta Physica Sinica, 2003, 52(7): 1732-1736.doi:10.7498/aps.52.1732 |