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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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Huang Sheng-Xing, Chen Jian, Wang Wen-Fei, Wang Xu-Dong, Yao Man. First principle calculation of thermoelectric transport performances of new dual transition metal MXene. Acta Physica Sinica,
2024, 73(14): 146301.
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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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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.
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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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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,
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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,
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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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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 Jian-Jun. First-principles calculation of electronic structure of (Zn,Al)O and analysis of its conductivity. Acta Physica Sinica,
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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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2005, 54(11): 5308-5313.
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