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Wang Na, Xu Hui-Fang, Yang Qiu-Yun, Zhang Mao-Lian, Lin Zi-Jing. First-principles study of strain-tunable charge carrier transport properties and optical properties of CrI3 monolayer. Acta Physica Sinica,
2022, 71(20): 207102.
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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.
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Wang Chuang, Zhao Yong-Hong, Liu Yong. First-principles calculations of magnetic and optical properties of Ga1–xCrxSb (x = 0.25, 0.50, 0.75). Acta Physica Sinica,
2019, 68(17): 176301.
doi: 10.7498/aps.68.20182305
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Zhao Bai-Qiang, Zhang Yun, Qiu Xiao-Yan, Wang Xue-Wei. First-principles study on the electronic structures and optical properties of Cu, Fe doped LiNbO_3 crystals. Acta Physica Sinica,
2016, 65(1): 014212.
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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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Shao Dong-Yuan, Hui Qun, Li Xiao, Chen Jing-Jing, Li Chun-Mei, Cheng Nan-Pu. First-principles study on the elastic and thermal properties of Ca0.5Sr0.5TiO3. Acta Physica Sinica,
2015, 64(20): 207102.
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Xie Zhi, Cheng Wen-Dan. First-principles study of electronic structure and optical properties of TiO2 nanotubes. Acta Physica Sinica,
2014, 63(24): 243102.
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Cheng Xu-Dong, Wu Hai-Xin, Tang Xiao-Lu, Wang Zhen-You, Xiao Rui-Chun, Huang Chang-Bao, Ni You-Bao. First principles study on the electronic structures and optical properties of Na2Ge2Se5. Acta Physica Sinica,
2014, 63(18): 184208.
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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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Yang Chun-Yan, Zhang Rong, Zhang Li-Min, Ke Xiang-Wei. Electronic structure and optical properties of 0.5NdAlO3-0.5CaTiO3 from first-principles calculation. Acta Physica Sinica,
2012, 61(7): 077702.
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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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Su Rui, Long Yao, Jiang Sheng-Li, He Jie, Chen Jun. Elastic properties of β-HMX under extra pressure: a first principles study. Acta Physica Sinica,
2012, 61(20): 206201.
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Fan Kai-Min, Yang Li, Peng Shu-Ming, Long Xing-Gui, Wu Zhong-Cheng, Zu Xiao-Tao. First-principles calculation for elastic constantsof α-ScDx(D=H, He). Acta Physica Sinica,
2011, 60(7): 076201.
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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.
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Li Shi-Na, Liu Yong. First-principles calculation of elastic and thermodynamic properties of copper nitride. Acta Physica Sinica,
2010, 59(10): 6882-6888.
doi: 10.7498/aps.59.6882
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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.
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Guan Li, Li Qiang, Zhao Qing-Xun, Guo Jian-Xin, Zhou Yang, Jin Li-Tao, Geng Bo, Liu Bao-Ting. First-principles study of the optical properties of ZnO doped with Al, Ni. Acta Physica Sinica,
2009, 58(8): 5624-5631.
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Bi Yan-Jun, Guo Zhi-You, Sun Hui-Qing, Lin Zhu, Dong Yu-Cheng. The electronic structure and optical properties of Co and Mn codoped ZnO from first-principle study. Acta Physica Sinica,
2008, 57(12): 7800-7805.
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Liu Na-Na, Song Ren-Bo, Sun Han-Ying, Du Da-Wei. The electronic structure and thermodynamic properties of Mg2Sn from first-principles calculations. Acta Physica Sinica,
2008, 57(11): 7145-7150.
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Duan Man-Yi, Xu Ming, Zhou Hai-Ping, Shen Yi-Bin, Chen Qing-Yun, Ding Ying-Chun, Zhu Wen-Jun. First-principles study on the electronic structure and optical properties of ZnO doped with transition metal and N. Acta Physica Sinica,
2007, 56(9): 5359-5365.
doi: 10.7498/aps.56.5359
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