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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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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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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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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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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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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.
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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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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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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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Liu Jian-Jun. First-principles calculation of electronic structure of (Zn,Al)O and analysis of its conductivity. Acta Physica Sinica,
2011, 60(3): 037102.
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Ma Guo-Jia, Zhu Jia-Qi, Gong Shui-Li, Gao Wei. First principles studies of nitrogen doped tetrahedral amorphous carbon. Acta Physica Sinica,
2011, 60(2): 027104.
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Luo Li-Jin, Zhong Chong-Gui, Fang Jing-Huai, Zhao Yong-Lin, Zhou Peng-Xia, Jiang Xue-Fan. Responses of electronic structure and magnetism to tetragonal distortion and their influence on pressure for the Heusler alloy Mn2 NiAl. Acta Physica Sinica,
2011, 60(12): 127502.
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Zhao Kun, Zhang Kun, Wang Jia-Jia, Yu Jin, Wu San-Xie. A first principles study on tetragonal distortion, magnetic property and elastic constants of Pd2 CrAl Heusler alloy. Acta Physica Sinica,
2011, 60(12): 127101.
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Jiang Xue-Fan, Luo Li-Jin, Jiang Qing, Zhong Chong-Gui, Tan Zhi-Zhong, Quan Hong-Rui. First-principle prediction of magnetic shape memory effect of Heusler alloy Mn2NiGe. Acta Physica Sinica,
2010, 59(11): 8037-8041.
doi: 10.7498/aps.59.8037
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Song Jiu-Xu, Yang Yin-Tang, Liu Hong-Xia, Zhang Zhi-Yong. First-principles study of the electonic structure of nitrogen-doped silicon carbide nanotubes. Acta Physica Sinica,
2009, 58(7): 4883-4887.
doi: 10.7498/aps.58.4883
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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.
doi: 10.7498/aps.57.4434
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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.
doi: 10.7498/aps.54.328
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