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Lin Hong-Bin, Lin Chun, Chen Yue, Zhong Ke-Hua, Zhang Jian-Min, Xu Gui-Gui, Huang Zhi-Gao. First-principles study of effect of Mg doping on structural stability and electronic structure of LiCoO2 cathode material. Acta Physica Sinica,
2021, 70(13): 138201.
doi: 10.7498/aps.70.20210064
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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
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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
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Zhang Yun, Wang Xue-Wei, Bai Hong-Mei. First-principles study on the electronic structures and the absorption spectra of In: Mn: LiNbO3 crystals. Acta Physica Sinica,
2017, 66(2): 024208.
doi: 10.7498/aps.66.024208
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Zhao Bai-Qiang, Zhang Yun, Qiu Xiao-Yan, Wang Xue-Wei. First-principles study on the electronic structures and optical properties of Cu, Fe doped LiNbO_3 crystals. Acta Physica Sinica,
2016, 65(1): 014212.
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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
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Chen Li-Jing, Li Wei-Xue, Dai Jian-Feng, Wang Qing. First-prinicples study of Mn-N co-doped p-type ZnO. Acta Physica Sinica,
2014, 63(19): 196101.
doi: 10.7498/aps.63.196101
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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
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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
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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
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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.
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Yao Guang-Rui, Fan Guang-Han, Zheng Shu-Wen, Ma Jia-Hong, Chen Jun, Zhang Yong, Li Shu-Ti, Su Shi-Chen, Zhang Tao. First-principles study of p-type ZnO by Te-N codoping. Acta Physica Sinica,
2012, 61(17): 176105.
doi: 10.7498/aps.61.176105
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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
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Wan Wen-Jian, Yao Ruo-He, Geng Kui-Wei. Electronic structure of CuAlS2 doped with Mg and Zn. Acta Physica Sinica,
2011, 60(6): 067103.
doi: 10.7498/aps.60.067103
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Deng Bei, Sun Hui-Qing, Guo Zhi-You, Gao Xiao-Qi. Theoretical analysis on the improvement of p-type ZnO by B-N codoping. Acta Physica Sinica,
2010, 59(2): 1212-1218.
doi: 10.7498/aps.59.1212
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Dang Sui-Hu, Li Chun-Xia, Han Pei-De. First-principles calculation of CdS electronic structure doped with Mg and Cu. Acta Physica Sinica,
2009, 58(6): 4137-4143.
doi: 10.7498/aps.58.4137
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Yang Yin-Tang, Wu Jun, Cai Yu-Rong, Ding Rui-Xue, Song Jiu-Xu, Shi Li-Chun. First principles investigation on conductivity mechanism of p-type K:ZnO. Acta Physica Sinica,
2008, 57(11): 7151-7156.
doi: 10.7498/aps.57.7151
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Bi Yan-Jun, Guo Zhi-You, Sun Hui-Qing, Lin Zhu, Dong Yu-Cheng. The electronic structure and optical properties of Co and Mn codoped ZnO from first-principle study. Acta Physica Sinica,
2008, 57(12): 7800-7805.
doi: 10.7498/aps.57.7800
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Duan Man-Yi, Xu Ming, Zhou Hai-Ping, Shen Yi-Bin, Chen Qing-Yun, Ding Ying-Chun, Zhu Wen-Jun. First-principles study on the electronic structure and optical properties of ZnO doped with transition metal and N. Acta Physica Sinica,
2007, 56(9): 5359-5365.
doi: 10.7498/aps.56.5359
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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
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