| [1] | Chen Rong, Wang Yuan-Fan, Wang Yi-Xin, Liang Qian, Xie Quan. First-principles study of  transition metal atoms X (X = Mn, Tc, Re) doped two-dimensional WS2 materials. Acta Physica Sinica,
												2022, 71(12): 127301.
												
												doi: 10.7498/aps.71.20212439 | 
							
									| [2] | Pan Feng-Chun, Lin Xue-Ling, Wang Xu-Ming. First-principles study of strain effect on magnetic and optical properties in (Ga, Mo)Sb. Acta Physica Sinica,
												2022, 71(9): 096103.
												
												doi: 10.7498/aps.71.20212316 | 
							
									| [3] | Liu Hui-Cheng, Xu Jia-Xiong, Lin Jun-Hui. Numerical analysis of Cu2ZnSnS4 solar cells on Si substrate. Acta Physica Sinica,
												2021, 70(10): 108801.
												
												doi: 10.7498/aps.70.20201936 | 
							
									| [4] | Ye Jian-Feng, Qing Ming-Zhe, Xiao Qing-Quan, Wang Ao-Shuang, He An-Na, Xie Quan. First-principles study of electronic structure , magnetic and optical properties of Ti, V, Co and Ni doped two-dimensional CrSi2 materials. Acta Physica Sinica,
												2021, 70(22): 227301.
												
												doi: 10.7498/aps.70.20211023 | 
							
									| [5] | Fu Xian-Kai, Chen Wan-Qi, Jiang Zhong-Sheng, Yang Bo, Zhao Xiang, Zuo Liang. First-principles investigation on elastic, electronic, and optical properties of Ti3O5. Acta Physica Sinica,
												2019, 68(20): 207301.
												
												doi: 10.7498/aps.68.20190664 | 
							
									| [6] | Wang Chuang, Zhao Yong-Hong, Liu Yong. First-principles calculations of magnetic and optical properties of Ga1–xCrxSb (x = 0.25, 0.50, 0.75). Acta Physica Sinica,
												2019, 68(17): 176301.
												
												doi: 10.7498/aps.68.20182305 | 
							
									| [7] | Fu Zheng-Hong, Li Ting, Shan Mei-Le, Guo Kang, Gou Guo-Qing. Effect of H on elastic properties of Mg2Si by the first principles calculation. Acta Physica Sinica,
												2019, 68(17): 177102.
												
												doi: 10.7498/aps.68.20190368 | 
							
									| [8] | Hou Zhen-Tao, Li Yan-Ru, Liu He-Yan, Dai Xue-Fang, Liu Guo-Dong, Liu Cai-Chi, Li Ying. Effect of Ga vacancy on the magnetism in GaN:Gd: First-principles calculation. Acta Physica Sinica,
												2016, 65(12): 127102.
												
												doi: 10.7498/aps.65.127102 | 
							
									| [9] | He Jing-Fang, Zheng Shu-Kai, Zhou Peng-Li, Shi Ru-Qian, Yan Xiao-Bing. First-principles calculations on the electronic and optical properties of ZnO codoped with Cu-Co. Acta Physica Sinica,
												2014, 63(4): 046301.
												
												doi: 10.7498/aps.63.046301 | 
							
									| [10] | Tan Xing-Yi, Wang Jia-Heng, Zhu Yi-Yi, Zuo An-You, Jin Ke-Xin. First-principles calculations of phosphorene doped with carbon, oxygen and sulfur. Acta Physica Sinica,
												2014, 63(20): 207301.
												
												doi: 10.7498/aps.63.207301 | 
							
									| [11] | Tan Xing-Yi, Chen Chang-Le, Jin Ke-Xin, Gao Yan-Jun. Electronic structure and magnetic properties in C-doped BaTiO3: A first-principles calculations. Acta Physica Sinica,
												2012, 61(24): 247102.
												
												doi: 10.7498/aps.61.247102 | 
							
									| [12] | Wu Hai-Ping, Chen Dong-Guo, Huang De-Cai, Deng Kai-Ming. Electronic and magnetic properties of SrCoO3:the first principles study. Acta Physica Sinica,
												2012, 61(3): 037101.
												
												doi: 10.7498/aps.61.037101 | 
							
									| [13] | 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 | 
							
									| [14] | 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 | 
							
									| [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] | Wang Jiang-Long, Ge Zhi-Qi, Li Hui-Ling, Liu Hong-Fei, Yu Wei. Electronic structure and magnetic propertiesof post-perovskite CaRhO3. Acta Physica Sinica,
												2011, 60(4): 047107.
												
												doi: 10.7498/aps.60.047107 | 
							
									| [17] | 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 | 
							
									| [18] | Wan Ji-Yu, Jin Ke-Xin, Tan Xing-Yi, Chen Chang-Le. Transport and rectification properties of Pr0.5Ca0.5MnO3/Si heterojunction. Acta Physica Sinica,
												2010, 59(11): 8137-8141.
												
												doi: 10.7498/aps.59.8137 | 
							
									| [19] | Guan Li, Li Qiang, Zhao Qing-Xun, Guo Jian-Xin, Zhou Yang, Jin Li-Tao, Geng Bo, Liu Bao-Ting. First-principles study of the optical properties of ZnO doped with Al, Ni. Acta Physica Sinica,
												2009, 58(8): 5624-5631.
												
												doi: 10.7498/aps.58.5624 | 
							
									| [20] | Xing Hai-Ying, Fan Guang-Han, Zhang Yong, Zhao De-Gang. First principle study of Mg,Si and Mn co-doped GaN. Acta Physica Sinica,
												2009, 58(1): 450-458.
												
												doi: 10.7498/aps.58.450 |