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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,
2024, 73(13): 137103.
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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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Deng Shi-Jie, Zhao Yu-Hong, Hou Hua, Wen Zhi-Qin, Han Pei-De. Structural, mechanical and thermodynamic properties of Ti2AlX (X= C, N) at high pressure. Acta Physica Sinica,
2017, 66(14): 146101.
doi: 10.7498/aps.66.146101
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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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Fan Tao, Zeng Qing-Feng, Yu Shu-Yin. Novel compounds in the hafnium nitride system: first principle study of their crystal structures and mechanical properties. Acta Physica Sinica,
2016, 65(11): 118102.
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Ma Zhen-Ning, Zhou Quan, Wang Qing-Jie, Wang Xun, Wang Lei. First-principles study of the thermodynamic stabilities and electronic structures of long-period stacking ordered phases in Mg-Y-Cu alloys. Acta Physica Sinica,
2016, 65(23): 236101.
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Zhao Bai-Qiang, Zhang Yun, Qiu Xiao-Yan, Wang Xue-Wei. First-principles study of the electronic structures and absorption spectrum of Fe:Mg:LiNbO3 crystals. Acta Physica Sinica,
2015, 64(12): 124210.
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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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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.
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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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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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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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Yang Ze-Jin, Linghu Rong-Feng, Cheng Xin-Lu, Yang Xiang-Dong. First-principles investigations on the electronic, elastic and thermodynamic properties of Cr2MC(M=Al, Ga). Acta Physica Sinica,
2012, 61(4): 046301.
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Wang Ying, Lu Tie-Cheng, Wang Yue-Zhong, Yue Shun-Li, Qi Jian-Qi, Pan Lei. Investigation of the electronic and mechanical properties of Al2O3-AlN solid solution by virtual crystal approximation. Acta Physica Sinica,
2012, 61(16): 167101.
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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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Wang Yu-Mei, Pei Hui-Xia, Ding Jun, Wen Li-Wei. First-principles study of magnetism and electronic structureof Sb-containing half-Heusler alloys. Acta Physica Sinica,
2011, 60(4): 047110.
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Ni Jian-Gang, Liu Nuo, Yang Guo-Lai, Zhang Xi. First-principle study on electronic structure of BaTiO3 (001) surfaces. Acta Physica Sinica,
2008, 57(7): 4434-4440.
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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.
doi: 10.7498/aps.57.7145
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Pan Zhi-Jun, Zhang Lan-Ting, Wu Jian-Sheng. A first-principle study of electronic and geometrical structures of semiconducting β-FeSi2 with doping. Acta Physica Sinica,
2005, 54(11): 5308-5313.
doi: 10.7498/aps.54.5308
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