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Luan Xiao-Wei, Sun Jian-Ping, Wang Fan-Song, Wei Hui-Lan, Hu Yi-Fan. Density functional study of metal lithium atom adsorption on antimonene. Acta Physica Sinica,
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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.
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Luo Qiang, Yang Heng, Guo Ping, Zhao Jian-Fei. Density functional theory calculation of structure and electronic properties in N-methane hydrate. Acta Physica Sinica,
2019, 68(16): 169101.
doi: 10.7498/aps.68.20182230
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Bao Kuo, Ma Shuai-Ling, Xu Chun-Hong, Cui Tian. Design of ultra-hard multifunctional transition metal compounds. Acta Physica Sinica,
2017, 66(3): 036104.
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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.
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Lu Tao, Wang Jin, Fu Xu, Xu Biao, Ye Fei-Hong, Mao Jin-Bin, Lu Yun-Qing, Xu Ji. Theoretical calculation of the birefringence of poly-methyl methacrylate by using the density functional theory and molecular dynamics method. Acta Physica Sinica,
2016, 65(21): 210301.
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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.
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Wang Ya-Jing, Li Gui-Xia, Wang Zhi-Hua, Gong Li-Ji, Wang Xiu-Fang. Diameter monodispersity of imogolite-like nanotube: a density functional theory study. Acta Physica Sinica,
2016, 65(4): 048101.
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Yang Zhen-Qing, Bai Xiao-Hui, Shao Chang-Jin. Density functional theory studies of (TiO2)12 quantum ring and its electronic properties when doped with transition metal compounds. Acta Physica Sinica,
2015, 64(7): 077102.
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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.
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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.
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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.
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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.
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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.
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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.
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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.
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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.
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Zhang Ming-Xin, Wu Ke-Chen, Liu Cai-Ping, Wei Yong-Qin. Computational study on the exchange-correlation function in density functional theory and optical nonlinearity of transition-metal complexes. Acta Physica Sinica,
2005, 54(4): 1762-1770.
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Wang Xiu-Ying, Sun Li-Ling, Liu Ri-Ping, Yao Yu-Shu , Zhang Jun, Wang Wen-Kui. Diffusion of Co in Zr＿46.75Ti＿8.25Cu＿7.5Ni＿10Be＿27.5 bulk metallic glass in supercooled liquid region under high pressure. Acta Physica Sinica,
2004, 53(11): 3845-3848.
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Tan Ming-Qiu, Tao Xiang-Ming, Xu Xiao-Jun, Cai Jian-Qiu. Density functional theory study on the electronic structure of UAl3 a nd USn3. Acta Physica Sinica,
2003, 52(12): 3142-3149.
doi: 10.7498/aps.52.3142
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