[1] |
Chen Guang-Ping, Yang Jin-Ni, Qiao Chang-Bing, Huang Lu-Jun, Yu Jing.First-principles calculations of local structure and electronic properties of Er3+-doped TiO2. Acta Physica Sinica, 2022, 71(24): 246102.doi:10.7498/aps.71.20221847 |
[2] |
Liang Ting, Wang Yang-Yang, Liu Guo-Hong, Fu Wang-Yang, Wang Huai-Zhang, Chen Jing-Fei.First-principles investigations on gas adsorption properties of V-doped monolayer MoS2. Acta Physica Sinica, 2021, 70(8): 080701.doi:10.7498/aps.70.20202043 |
[3] |
Huang Bing-Quan, Zhou Tie-Ge, Wu Dao-Xiong, Zhang Zhao-Fu, Li Bai-Kui.Properties of vacancies and N-doping in monolayer g-ZnO: First-principles calculation and molecular orbital theory analysis. Acta Physica Sinica, 2019, 68(24): 246301.doi:10.7498/aps.68.20191258 |
[4] |
Yan Xiao-Tong, Hou Yu-Hua, Zheng Shou-Hong, Huang You-Lin, Tao Xiao-Ma.First-principles study of effects of Ga, Ge and As doping on electrochemical properties and electronic structure of Li2CoSiO4serving as cathode material for Li-ion batteries. Acta Physica Sinica, 2019, 68(18): 187101.doi:10.7498/aps.68.20190503 |
[5] |
Qi Yu-Min, Chen Heng-Li, Jin Peng, Lu Hong-Yan, Cui Chun-Xiang.First-principles study of electronic structures and optical properties of Mn and Cu doped potassium hexatitanate (K2Ti6O13). Acta Physica Sinica, 2018, 67(6): 067101.doi:10.7498/aps.67.20172356 |
[6] |
Zhai Shun-Cheng, Guo Ping, Zheng Ji-Ming, Zhao Pu-Ju, Suo Bing-Bing, Wan Yun.First principle study of electronic structures and optical absorption properties of O and S doped graphite phase carbon nitride (g-C3N4)6 quantum dots. Acta Physica Sinica, 2017, 66(18): 187102.doi:10.7498/aps.66.187102 |
[7] |
Jia Ming-Zhen, Wang Hong-Yan, Chen Yuan-Zheng, Ma Cun-Liang, Wang Hui.First-principles study of electronic structures and electrochemical properties for Al, Fe and Mg doped Li2MnSiO4. Acta Physica Sinica, 2015, 64(8): 087101.doi:10.7498/aps.64.087101 |
[8] |
Zhu Xue-Wen, Xu Li-Chun, Liu Rui-Ping, Yang Zhi, Li Xiu-Yan.N-F co-doped in titaninum dioxide nanotube of the anatase (101) surface: a first-principles study. Acta Physica Sinica, 2015, 64(14): 147103.doi:10.7498/aps.64.147103 |
[9] |
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 |
[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] |
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 |
[12] |
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 |
[13] |
Wang Ying-Long, Wang Xiu-Li, Liang Wei-Hua, Guo Jian-Xin, Ding Xue-Cheng, Chu Li-Zhi, Deng Ze-Chao, Fu Guang-Sheng.First principles study of electronic and optical properties of Er-doped silicon nanoparticles with different densities. Acta Physica Sinica, 2011, 60(12): 127302.doi:10.7498/aps.60.127302 |
[14] |
Tan Xing-Yi, Jin Ke-Xin, Chen Chang-Le, Zhou Chao-Chao.Electronic structure of YFe2B2by first-principles calculation. Acta Physica Sinica, 2010, 59(5): 3414-3417.doi:10.7498/aps.59.3414 |
[15] |
Liang Wei-Hua, Ding Xue-Cheng, Chu Li-Zhi, Deng Ze-Chao, Guo Jian-Xin, Wu Zhuan-Hua, Wang Ying-Long.First-principles study of electronic and optical properties of Ni-doped silicon nanowires. Acta Physica Sinica, 2010, 59(11): 8071-8077.doi:10.7498/aps.59.8071 |
[16] |
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 |
[17] |
Xu Xin-Fa, Shao Xiao-Hong.Calculation of the electronic structure of Y-doped SrTiO3. Acta Physica Sinica, 2009, 58(3): 1908-1916.doi:10.7498/aps.58.1908 |
[18] |
Guo Jian-Yun, Zheng Guang, He Kai-Hua, Chen Jing-Zhong.First-principles study on electronic structure and optical properties of Al and Mg doped GaN. Acta Physica Sinica, 2008, 57(6): 3740-3746.doi:10.7498/aps.57.3740 |
[19] |
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 |
[20] |
Kim Sung-Chol, Huang Zu-Fei, Ming Xing, Wang Chun-Zhong, Meng Xing, Chen Gang.Effect of bivalent metal element doping on the electronic transport properties of LiCoO2. Acta Physica Sinica, 2007, 56(10): 6008-6012.doi:10.7498/aps.56.6008 |