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Luan Li-Jun, He Yi, Wang Tao, Liu Zong-Wen.First-principles study of e interface interaction and photoelectric properties of the solar cell heterojunction CdS/CdMnTe. Acta Physica Sinica, 2021, 70(16): 166302.doi:10.7498/aps.70.20210268 |
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Li Tian-Jing, Cao Xiu-Xia, Tang Shi-Hui, He Lin, Meng Chuan-Min.Crystal-orientation effects of the optical extinction in shocked Al2O3: a first-principles investigation. Acta Physica Sinica, 2020, 69(4): 046201.doi:10.7498/aps.69.20190955 |
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Huang Bing-Quan, Zhou Tie-Ge, Wu Dao-Xiong, Zhang Zhao-Fu, Li Bai-Kui.Properties of vacancies and N-doping in monolayer g-ZnO: First-principles calculation and molecular orbital theory analysis. Acta Physica Sinica, 2019, 68(24): 246301.doi:10.7498/aps.68.20191258 |
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Wang Yan, Cao Qian-Hui, Hu Cui-E, Zeng Zhao-Yi.First-principles calculations of high pressure phase transition of Ce-La-Th alloy. Acta Physica Sinica, 2019, 68(8): 086401.doi:10.7498/aps.68.20182128 |
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Guo Jing, Wu Qi, Sun Li-Ling.Pressure-induced phenomena and physics in iron-based superconductors. Acta Physica Sinica, 2018, 67(20): 207409.doi:10.7498/aps.67.20181651 |
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Dong Jia-Jun, Yao Ming-Guang, Liu Shi-Jie, Liu Bing-Bing.Studies of quasi one-dimensional nanostructures at high pressures. Acta Physica Sinica, 2017, 66(3): 039101.doi:10.7498/aps.66.039101 |
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Duan De-Fang, Ma Yan-Bin, Shao Zi-Ji, Xie Hui, Huang Xiao-Li, Liu Bing-Bing, Cui Tian.Structures and novel superconductivity of hydrogen-rich compounds under high pressures. Acta Physica Sinica, 2017, 66(3): 036102.doi:10.7498/aps.66.036102 |
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Liu Bo, Wang Xuan-Jun, Bu Xiao-Yu.First principles investigations of structural, electronic and elastic properties of ammonium perchlorate under high pressures. Acta Physica Sinica, 2016, 65(12): 126102.doi:10.7498/aps.65.126102 |
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Wang Jin-Rong, Zhu Jun, Hao Yan-Jun, Ji Guang-Fu, Xiang Gang, Zou Yang-Chun.First-principles study of the structural, elastic and electronic properties of RhB under high pressure. Acta Physica Sinica, 2014, 63(18): 186401.doi:10.7498/aps.63.186401 |
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Yan Xiao-Zhen, Kuang Xiao-Yu, Mao Ai-Jie, Kuang Fang-Guang, Wang Zhen-Hua, Sheng Xiao-Wei.First-principles study on the elastic, electronic and thermodynamic properties of ErNi2B2C under high pressure. Acta Physica Sinica, 2013, 62(10): 107402.doi:10.7498/aps.62.107402 |
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Wang Hai-Yan, Li Chang-Yun, Gao Jie, Hu Qian-Ku, Mi Guo-Fa.First-principles studies of the structural and thermodynamic properties of TiAl3 under high pressure. Acta Physica Sinica, 2013, 62(6): 068105.doi:10.7498/aps.62.068105 |
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Zhang Pin-Liang, Gong Zi-Zheng, Ji Guang-Fu, Liu Song.First-principles study of high-pressure physical properties of α-Ti2Zr. Acta Physica Sinica, 2013, 62(4): 046202.doi:10.7498/aps.62.046202 |
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Zhou Da-Wei, Lu Cheng, Li Gen-Quan, Song Jin-Fan, Song Yu-Ling, Bao Gang.First principles investigations of the structural stability and thermal dynamical properties of metal Ba under high pressure. Acta Physica Sinica, 2012, 61(14): 146301.doi:10.7498/aps.61.146301 |
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Chen Zhong-Jun.First principles study of the elastic, electronic and optical properties of MgS under pressure. Acta Physica Sinica, 2012, 61(17): 177104.doi:10.7498/aps.61.177104 |
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Ming Xing, Wang Xiao-Lan, Du Fei, Chen Gang, Wang Chun-Zhong, Yin Jian-Wu.Phase transition and properties of siderite FeCO3 under high pressure: an ab initio study. Acta Physica Sinica, 2012, 61(9): 097102.doi:10.7498/aps.61.097102 |
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Yu Dong-Qi, Zhang Zhao-Hui.First principles calculations of interaction between an armchair-edge graphene nanoribbon and its graphite substrate. Acta Physica Sinica, 2011, 60(3): 036104.doi:10.7498/aps.60.036104 |
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Deng Yang, Wang Ru-Zhi, Xu Li-Chun, Fang Hui, Yan Hui.Pressure induced band-gap changes in (Ba0.5Sr0.5)TiO3 (BST) from first-principles calculations. Acta Physica Sinica, 2011, 60(11): 117309.doi:10.7498/aps.60.117309 |
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Lü Quan, Huang Wei-Qi, Wang Xiao-Yun, Meng Xiang-Xiang.The first-principle calculations and analysis on density of states of silion plane (111) formed by nitrogen film. Acta Physica Sinica, 2010, 59(11): 7880-7884.doi:10.7498/aps.59.7880 |
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Liang Yong-Cheng, Guo Wan-Lin, Fang Zhong.First principles studies of low-compressibility of transition-metal compounds OsB2 and OsO2. Acta Physica Sinica, 2007, 56(8): 4847-4855.doi:10.7498/aps.56.4847 |
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Sun Bo, Liu Shao-Jun, Duan Su-Qing, Zhu Wen-Jun.First-principles calculations of structures, properties and high pressures effects of Fe. Acta Physica Sinica, 2007, 56(3): 1598-1602.doi:10.7498/aps.56.1598 |
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