[1] |
Jiang Nan, Li Ao-Lin, Qu Shui-Xian, Gou Si, Ouyang Fang-Ping.First principles study of magnetic transition of strain induced monolayer NbSi2N4. Acta Physica Sinica, 2022, 71(20): 206303.doi:10.7498/aps.71.20220939 |
[2] |
Wang Xiao-Ka, Tang Fu-Ling, Xue Hong-Tao, Si Feng-Juan, Qi Rong-Fei, Liu Jing-Bo.First-principles study of H, Cl and F passivation for Cu2ZnSnS4(112) surface states. Acta Physica Sinica, 2018, 67(16): 166401.doi:10.7498/aps.67.20180626 |
[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] |
Pan Feng-Chun, Xu Jia-Nan, Yang Hua, Lin Xue-Ling, Chen Huan-Ming.Ferromagnetism of undoped anatase TiO2 based on the first-principles calculations. Acta Physica Sinica, 2017, 66(5): 056101.doi:10.7498/aps.66.056101 |
[5] |
Pan Feng-Chun, Lin Xue-Ling, Chen Huan-Ming.Electronic structure and optical properties of C doped rutile TiO2: the first-principles calculations. Acta Physica Sinica, 2015, 64(22): 224218.doi:10.7498/aps.64.224218 |
[6] |
Jiang Xian-Wei, Dai Guang-Zhen, Lu Shi-Bin, Wang Jia-Yu, Dai Yue-Hua, Chen Jun-Ning.Effect of Al doping on the reliability of HfO2 as a trapping layer: First-principles study. Acta Physica Sinica, 2015, 64(9): 091301.doi:10.7498/aps.64.091301 |
[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] |
Shi Yu, Bai Yang, Mo Li-Bin, Xiang Qing-Yun, Huang Ya-Li, Cao Jiang-Li.First-principles calculation for hydrogen-doped hematite. Acta Physica Sinica, 2015, 64(11): 116301.doi:10.7498/aps.64.116301 |
[9] |
Wang Tao, Chen Jian-Feng, Le Yuan.First-principles investigation of iodine doped rutile TiO2(110) surface. Acta Physica Sinica, 2014, 63(20): 207302.doi:10.7498/aps.63.207302 |
[10] |
Li Zong-Bao, Wang Xia, Jia Li-Chao.Synergistic effects in Fe/N codoped anatase TiO2 (101) surface:a theoretical study based on density functional theory calculation. Acta Physica Sinica, 2013, 62(20): 203103.doi:10.7498/aps.62.203103 |
[11] |
Lin Ling, Zhu Jia-Jie, Fang Hong.First-principles study on cation-doped Lu2Si2O7. Acta Physica Sinica, 2013, 62(14): 147101.doi:10.7498/aps.62.147101 |
[12] |
Cao Juan, Cui Lei, Pan Jing.Magnetism of V, Cr and Mn doped MoS2 by first-principal study. Acta Physica Sinica, 2013, 62(18): 187102.doi:10.7498/aps.62.187102 |
[13] |
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 |
[14] |
Yuan Di, Huang Duo-Hui, Luo Hua-Feng.First-principles study of Be, O codoped p-type AlN. Acta Physica Sinica, 2012, 61(14): 147101.doi:10.7498/aps.61.147101 |
[15] |
Yuan Di, Luo Hua-Feng, Huang Duo-Hui, Wang Fan-Hou.First-principles study of Zn,O codoped p-type AlN. Acta Physica Sinica, 2011, 60(7): 077101.doi:10.7498/aps.60.077101 |
[16] |
Zhang Yi-Jun, Yan Jin-Liang, Zhao Gang, Xie Wan-Feng.First-principles calculation and experimental study of Si-doped β-Ga2O3. Acta Physica Sinica, 2011, 60(3): 037103.doi:10.7498/aps.60.037103 |
[17] |
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 |
[18] |
Zhao Zong-Yan, Liu Qing-Ju, Zhang Jin, Zhu Zhong-Qi.First-principles study of 3d transition metal-doped anatase. Acta Physica Sinica, 2007, 56(11): 6592-6599.doi:10.7498/aps.56.6592 |
[19] |
Peng Li-Ping, Xu Ling, Yin Jian-Wu.First-principles study the optical properties of anatase TiO2 by N-doping. Acta Physica Sinica, 2007, 56(3): 1585-1589.doi:10.7498/aps.56.1585 |
[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 |