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Wang Xiu-Yu, Wang Tao, Cui Yu-Ang, Wu Xi-Guang-Run, Wang Yang.First-principles study of effect of impurity compensation on optical properties of Si. Acta Physica Sinica, 2024, 73(11): 116301.doi:10.7498/aps.73.20231814 |
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Zhu Ping, Zhang Qiang, Gou Hua-Song, Wang Ping-Ping, Shao Pu-Zhen, Kobayashi Equo, Wu Gao-Hui.First-principles calculation of diamond/Al interface properties and study of interface reaction. Acta Physica Sinica, 2021, 70(17): 178101.doi:10.7498/aps.70.20210341 |
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Zuo Bo-Min, Yuan Jian-Mei, Feng Zhi, Mao Yu-Liang.First-principles study of five isomers of two-dimensional GeSe under in-plane strain. Acta Physica Sinica, 2019, 68(11): 113103.doi:10.7498/aps.68.20182266 |
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Sheng Zhe, Dai Xian-Ying, Miao Dong-Ming, Wu Shu-Jing, Zhao Tian-Long, Hao Yue.First-principles study of hydrogen storage properties of silicene under different Li adsorption components. Acta Physica Sinica, 2018, 67(10): 107103.doi:10.7498/aps.67.20172720 |
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Hou Qing-Yu, Li Yong, Zhao Chun-Wang.First-principles study of Al-doped and vacancy on the magnetism of ZnO. Acta Physica Sinica, 2017, 66(6): 067202.doi:10.7498/aps.66.067202 |
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Li Bai, Wu Tai-Quan, Wang Chen-Chao, Jiang Ying.Structure of BP3S monolayer on Au(111). Acta Physica Sinica, 2016, 65(21): 216301.doi:10.7498/aps.65.216301 |
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Huang Yan-Ping, Yuan Jian-Mei, Guo Gang, Mao Yu-Liang.First-principles study on saturated adsorption of alkali metal atoms on silicene. Acta Physica Sinica, 2015, 64(1): 013101.doi:10.7498/aps.64.013101 |
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Dai Guang-Zhen, Dai Yue-Hua, Xu Tai-Long, Wang Jia-Yu, Zhao Yuan-Yang, Chen Jun-Ning, Liu Qi.First principles study on influence of oxygen vacancy in HfO2 on charge trapping memory. Acta Physica Sinica, 2014, 63(12): 123101.doi:10.7498/aps.63.123101 |
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Liao Jian, Xie Zhao-Qi, Yuan Jian-Mei, Huang Yan-Ping, Mao Yu-Liang.First-principles study of 3d transition metal Co doped core-shell silicon nanowires. Acta Physica Sinica, 2014, 63(16): 163101.doi:10.7498/aps.63.163101 |
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Hou Qing-Yu, Wu Yun Ge Ri, Zhao Chun-Wang.Effects of the concentration of heavily oxygen vacancy of rutile TiO2 on electric conductivity performance from first principles study. Acta Physica Sinica, 2013, 62(16): 167201.doi:10.7498/aps.62.167201 |
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Li Yu-Bo, Wang Xiao, Dai Ting-Ge, Yuan Guang-Zhong, Yang Hang-Sheng.First-principle study of vacancy-induced cubic boron nitride electronic structure and optical propertiy changes. Acta Physica Sinica, 2013, 62(7): 074201.doi:10.7498/aps.62.074201 |
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Wu Tai-Quan, Wang Xin-Yan, Jiao Zhi-Wei, Luo Hong-Lei, Zhu Ping.Structure of CO monolayer on Cu(100). Acta Physica Sinica, 2013, 62(18): 186301.doi:10.7498/aps.62.186301 |
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Liang Pei, Liu Yang, Wang Le, Wu Ke, Dong Qian-Min, Li Xiao-Yan.Investigation of the doping failure induced by DB in the SiNWs using first principles method. Acta Physica Sinica, 2012, 61(15): 153102.doi:10.7498/aps.61.153102 |
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Wu Jiang-Bin, Qian Yao, Guo Xiao-Jie, Cui Xian-Hui, Miao Ling, Jiang Jian-Jun.First-principles study on the Li-storage performance of silicon clusters and graphene composite structure. Acta Physica Sinica, 2012, 61(7): 073601.doi:10.7498/aps.61.073601 |
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He Xu, He Lin, Tang Ming-Jie, Xu Ming.Effects of the vacancy point-defect on electronic structure and optical properties of LiF under high pressure: A first principles investigation. Acta Physica Sinica, 2011, 60(2): 026102.doi:10.7498/aps.60.026102 |
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Wang Chao-Ying, Wang Zhen-Qing, Meng Qing-Yuan.Comparative study of the first-principles and empirical potential simulation of vacancies in silicon. Acta Physica Sinica, 2010, 59(5): 3370-3376.doi:10.7498/aps.59.3370 |
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Yang Chong, Yang Chun.First-principles study of atomic and electronic structures of the silicon oxide clusters on Si(001) surfaces. Acta Physica Sinica, 2009, 58(8): 5362-5369.doi:10.7498/aps.58.5362 |
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Zhu Jian-Xin, Li Yong-Hua, Meng Fan-Ling, Liu Chang-Sheng, Zheng Wei-Tao, Wang Yu-Ming.A first principles investigation on NiTi alloy. Acta Physica Sinica, 2008, 57(11): 7204-7209.doi:10.7498/aps.57.7204 |
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Hou Qing-Yu, Zhang Yue, Zhang Tao.First-principles research on the effect of high oxygen vacancy concentration in anatase TiO2 on Mott phase transition， absorption spectrum Einstein shift and life_time of electrons. Acta Physica Sinica, 2008, 57(3): 1862-1866.doi:10.7498/aps.57.1862 |
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Hou Qing-Yu, Zhang Yue, Zhang Tao.First principle study on the electron life span of degenerate anatase phase TiO2 semi-conductor with high concentration of oxygen vacancies. Acta Physica Sinica, 2008, 57(5): 3155-3159.doi:10.7498/aps.57.3155 |
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