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Liu Jun-Ling, Bai Yu-Jie, Xu Ning, Zhang Qin-Fang. First-principles study on electronic structure of GaS/Mg(OH)2 heterostructure. Acta Physica Sinica,
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Lin Hong-Bin, Lin Chun, Chen Yue, Zhong Ke-Hua, Zhang Jian-Min, Xu Gui-Gui, Huang Zhi-Gao. First-principles study of effect of Mg doping on structural stability and electronic structure of LiCoO2 cathode material. Acta Physica Sinica,
2021, 70(13): 138201.
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Yang Yan-Min, Li Jia, Ma Hong-Ran, Yang Guang, Mao Xiu-Juan, Li Cong-Cong. First-principles study of structure, electronic structure and thermoelectric properties for Co2-based Heusler alloys Co2FeAl1–xSix (x = 0.25, x = 0.5, x = 0.75). Acta Physica Sinica,
2019, 68(4): 046101.
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Ding Chao, Li Wei1\2\3, Liu Ju-Yan, Wang Lin-Lin, Cai Yun, Pan Pei-Feng. First principle study of electronic structure of Sb, S Co-doped SnO2. Acta Physica Sinica,
2018, 67(21): 213102.
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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.
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Xu Jing, Liang Jia-Qing, Li Hong-Ping, Li Chang-Sheng, Liu Xiao-Juan, Meng Jian. First-principles study on the electronic structure of Ti-doped NbSe2. Acta Physica Sinica,
2015, 64(20): 207101.
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Zhu Yan, Zhang Xin-Yu, Zhang Su-Hong, Ma Ming-Zhen, Liu Ri-Ping, Tian Hong-Yan. Electron transport properties of Mg2Si under hydrostatic pressures. Acta Physica Sinica,
2015, 64(7): 077103.
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Shen Jie, Wei Bin, Zhou Jing, Shen Shirley Zhiqi, Xue Guang-Jie, Liu Han-Xing, Chen Wen. First-principle study of electronic structure and optical properties of Ba(Mg1/3Nb2/3)O3. Acta Physica Sinica,
2015, 64(21): 217801.
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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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Wu Mu-Sheng, Xu Bo, Liu Gang, Ouyang Chu-Ying. First-principles study on the electronic structures of Cr- and W-doped single-layer MoS2. Acta Physica Sinica,
2013, 62(3): 037103.
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Huang You-Lin, Hou Yu-Hua, Zhao Yu-Jun, Liu Zhong-Wu, Zeng De-Chang, Ma Sheng-Can. Influences of strain on electronic structure and magnetic properties of CoFe2O4 from first-principles study. Acta Physica Sinica,
2013, 62(16): 167502.
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Guan Dong-Bo, Mao Jian. First principles study of the electronic structure and optical properties of Magnli phase titanium suboxides Ti8O15. Acta Physica Sinica,
2012, 61(1): 017102.
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Liu Feng-Li, Jiang Gang, Bai Li-Na, Kong Fan-Jie. First-principles study on the electronic structures of diadochic compounds Bi2Te3- x Sex(x ≤3). Acta Physica Sinica,
2011, 60(3): 037104.
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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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Luo Li-Jin, Zhong Chong-Gui, Jiang Xue-Fan, Fang Jing-Huai, Jiang Qing. A first-principles study of electronic structure, magnetism, response to pressure and tetragonal distortions of Ni2MnSi Heusler alloy. Acta Physica Sinica,
2010, 59(1): 521-526.
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Yu Da-Long, Chen Yu-Hong, Cao Yi-Jie, Zhang Cai-Rong. Ab initio structural simulation and electronic structure of lithium imide. Acta Physica Sinica,
2010, 59(3): 1991-1996.
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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,
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Pan Zhi-Jun, Zhang Lan-Ting, Wu Jian-Sheng. First-principles study of electronic structure for CoSi. Acta Physica Sinica,
2005, 54(1): 328-332.
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Wang Hai-Yan, Liu Ri-Ping, Ma Ming-Zhen, Gao Ming, Yao Yu-Shu, Wang Wen-Kui. Solidification of FeSi2 alloy under high pressure. Acta Physica Sinica,
2004, 53(7): 2378-2383.
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