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Li Fa-Yun, Yang Zhi-Xiong, Cheng Xue, Zeng Li-Ying, Ouyang Fang-Ping. First-principles study of electronic structure and optical properties of monolayer defective tellurene. Acta Physica Sinica,
2021, 70(16): 166301.
doi: 10.7498/aps.70.20210271
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Lü Chang-Wei, Wang Chen-Ju, Gu Jian-Bing. First-principles study of structural, elastic, thermodynamic, electronic and optical properties of cubic boron nitride and hexagonal boron nitride at high temperature and high pressure. Acta Physica Sinica,
2019, 68(7): 077102.
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Fu Xian-Kai, Chen Wan-Qi, Jiang Zhong-Sheng, Yang Bo, Zhao Xiang, Zuo Liang. First-principles investigation on elastic, electronic, and optical properties of Ti3O5. Acta Physica Sinica,
2019, 68(20): 207301.
doi: 10.7498/aps.68.20190664
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Hu Jie-Qiong, Xie Ming, Chen Jia-Lin, Liu Man-Men, Chen Yong-Tai, Wang Song, Wang Sai-Bei, Li Ai-Kun. First principles study of electronic and elastic properties of Ti3AC2 (A = Si, Sn, Al, Ge) phases. Acta Physica Sinica,
2017, 66(5): 057102.
doi: 10.7498/aps.66.057102
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Wu Ruo-Xi, Liu Dai-Jun, Yu Yang, Yang Tao. First-principles investigations on structure and thermodynamic properties of CaS under high pressures. Acta Physica Sinica,
2016, 65(2): 027101.
doi: 10.7498/aps.65.027101
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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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Luo Zui-Fen, Cen Wei-Fu, Fan Meng-Hui, Tang Jia-Jun, Zhao Yu-Jun. First-principles study of electronic and optical properties of BiTiO3. Acta Physica Sinica,
2015, 64(14): 147102.
doi: 10.7498/aps.64.147102
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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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Cheng He-Ping, Dan Jia-Kun, Huang Zhi-Meng, Peng Hui, Chen Guang-Hua. First-principles study on the electronic structure and optical properties of RDX. Acta Physica Sinica,
2013, 62(16): 163102.
doi: 10.7498/aps.62.163102
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Fan Kai-Min, Yang Li, Sun Qing-Qiang, Dai Yun-Ya, Peng Shu-Ming, Long Xing-Gui, Zhou Xiao-Song, Zu Xiao-Tao. First-principles study on elastic properties of hexagonal phase ErAx (A=H, He). Acta Physica Sinica,
2013, 62(11): 116201.
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Hu Jie-Qiong, Xie Ming, Zhang Ji-Ming, Liu Man-Men, Yang You-Cai, Chen Yong-Tai. First principles study of Au-Sn intermetallic compounds. Acta Physica Sinica,
2013, 62(24): 247102.
doi: 10.7498/aps.62.247102
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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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Zhao Li-Kai, Zhao Er-Jun, Wu Zhi-Jian. First-principles calculations of structural thermodynamic and mechanical properties of 5d transitional metal diborides. Acta Physica Sinica,
2013, 62(4): 046201.
doi: 10.7498/aps.62.046201
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Zhou Ping, Wang Xin-Qiang, Zhou Mu, Xia Chuan-Hui, Shi Ling-Na, Hu Cheng-Hua. First-principles study of pressure induced phase transition, electronic structure and elastic properties of CdS. Acta Physica Sinica,
2013, 62(8): 087104.
doi: 10.7498/aps.62.087104
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Song Qing-Gong, Liu Li-Wei, Zhao Hui, Yan Hui-Yu, Du Quan-Guo. First-principles study on the electronic structure and optical properties of YFeO3. Acta Physica Sinica,
2012, 61(10): 107102.
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Yu Ben-Hai, Liu Mo-Lin, Chen Dong. First principles study of structural, electronic and elastic properties of Mg2 Si polymorphs. Acta Physica Sinica,
2011, 60(8): 087105.
doi: 10.7498/aps.60.087105
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Ru Qiang, Hu She-Jun, Zhao Ling-Zhi. First-principles study of the electronic structure and elastic property of Li x FePO4. Acta Physica Sinica,
2011, 60(3): 036301.
doi: 10.7498/aps.60.036301
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Yang Li-Jun, Chen Hai-Chuan. First-principles calculations of electronic structure, optical and elastic properties of LiGaX2(X=S, Se, Te). Acta Physica Sinica,
2011, 60(1): 014207.
doi: 10.7498/aps.60.014207
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Yang Tian-Xing, Cheng Qiang, Xu Hong-Bin, Wang Yuan-Xu. First-principles study of elastic and electronic properties of several ternary transition-metal carbides. Acta Physica Sinica,
2010, 59(7): 4919-4924.
doi: 10.7498/aps.59.4919
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Hou Yu-Qing, Zhang Xiao-Dong, Jiang Zhen-Yi. First-principles calculation of structure, electronic and elastic properties of MAlH4(M=Na, K). Acta Physica Sinica,
2010, 59(8): 5667-5671.
doi: 10.7498/aps.59.5667
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