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Wang Kun, Qiao Ying-Jie, Zhang Xiao-Hong, Wang Xiao-Dong, Zheng Ting, Bai Cheng-Ying, Zhang Yi-Ming, Du Shi-Yu. First-principles study of effect of ideal tensile/shear strain on chemical bond length and charge density distribution of U3Si2. Acta Physica Sinica,
2022, 71(22): 227102.
doi: 10.7498/aps.71.20221210
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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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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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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
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Rao Xue, Wang Ru-Zhi, Cao Jue-Xian, Yan Hui. First-principles calculation of doped GaN/AlN superlattices. Acta Physica Sinica,
2015, 64(10): 107303.
doi: 10.7498/aps.64.107303
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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
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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
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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
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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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Linghu Jia-Jun, Liang Gong-Ying. First-principles study on the luminescence property of In-doped ZnTe. Acta Physica Sinica,
2013, 62(10): 103102.
doi: 10.7498/aps.62.103102
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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
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Lu Qi-Liang, Luo Qi-Quan, Chen Li-Li. Density functional theory study of hydrogen adsorption on C@Al12 cluster. Acta Physica Sinica,
2010, 59(1): 234-238.
doi: 10.7498/aps.59.234
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Yang Min, Wang Liu-Ding, Chen Guo-Dong, An Bo, Wang Yi-Jun, Liu Guang-Qing. First-principles study on field emission of C-doped capped single-walled BNNT. Acta Physica Sinica,
2009, 58(10): 7151-7155.
doi: 10.7498/aps.58.7151
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Lin Zhu, Guo Zhi-You, Bi Yan-Jun, Dong Yu-Cheng. Ferromagnetism and the optical properties of Cu-doped AlN from first-principles study. Acta Physica Sinica,
2009, 58(3): 1917-1923.
doi: 10.7498/aps.58.1917
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Chen Kun, Fan Guang-Han, Zhang Yong, Ding Shao-Feng. First principles study of In-N codoped ZnO. Acta Physica Sinica,
2008, 57(5): 3138-3147.
doi: 10.7498/aps.57.3138
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Chen Kun, Fan Guang-Han, Zhang Yong. First principles study of optical properties of wurtzite ZnO with Mn-doping. Acta Physica Sinica,
2008, 57(2): 1054-1060.
doi: 10.7498/aps.57.1054
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Ding Shao-Feng, Fan Guang-Han, Li Shu-Ti, Xiao Bing. First-principles study of the p-type doped InN. Acta Physica Sinica,
2007, 56(7): 4062-4067.
doi: 10.7498/aps.56.4062
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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
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Li En-Ling, Yang Cheng-Jun, Chen Gui-Can, Wang Xue-Wen, Ma De-Ming. First principles study on structure and stability of small GanPm clusters. Acta Physica Sinica,
2005, 54(9): 4117-4123.
doi: 10.7498/aps.54.4117
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Yang Chun, Li Yan-Rong, Xue Wei-Dong, Tao Bai-Wan, Liu Xing-Zhao, Zhang Ying, Huang Wei. Study on the structure and energy of the (0001) surface of α-Al2O3 substrate. Acta Physica Sinica,
2003, 52(9): 2268-2273.
doi: 10.7498/aps.52.2268
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