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Mo Qiu-Yan, Zhang Song, Jing Tao, Zhang Hong-Yun, Li Xian-Xu, Wu Jia-Yin. First-principles study of surface modification of CuSe. Acta Physica Sinica,
2023, 72(12): 127301.
doi: 10.7498/aps.72.20230093
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Liu Kun, Wang Fu-He, Shang Jia-Xiang. First-principles study on the adsorption of oxygen at NiTi (110) surface. Acta Physica Sinica,
2017, 66(21): 216801.
doi: 10.7498/aps.66.216801
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Liu Feng-Bin, Chen Wen-Bin, Cui Yan, Qu Min, Cao Lei-Gang, Yang Yue. A first principles study on the active adsorbates on the hydrogenated diamond surface. Acta Physica Sinica,
2016, 65(23): 236802.
doi: 10.7498/aps.65.236802
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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.
doi: 10.7498/aps.64.207101
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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.
doi: 10.7498/aps.64.147102
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Jiang En-Hai, Zhu Xing-Feng, Chen Ling-Fu. First-principles study of the electronic structure, magnetism, and spin-polarization in Heusler alloy Co2MnAl(100) surface. Acta Physica Sinica,
2015, 64(14): 147301.
doi: 10.7498/aps.64.147301
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Ma Lei, Wang Xu, Shang Jia-Xiang. Effect of Pd in NiTi on the martensitic transformation temperatures and hysteresis: a first-principles study. Acta Physica Sinica,
2014, 63(23): 233103.
doi: 10.7498/aps.63.233103
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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.
doi: 10.7498/aps.62.167502
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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.
doi: 10.7498/aps.62.087104
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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.
doi: 10.7498/aps.62.037103
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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.
doi: 10.7498/aps.61.107102
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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.
doi: 10.7498/aps.60.047110
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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.
doi: 10.7498/aps.60.037102
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Lu Shuo, Zhang Yue, Shang Jia-Xiang. First principles study on structure and property of Si2 CN4(010) surface. Acta Physica Sinica,
2011, 60(2): 027302.
doi: 10.7498/aps.60.027302
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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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Gong Chang-Wei, Wang Yi-Nong, Yang Da-Zhi. Ab initio study of the martensitic transformation of NiTi shape memory alloys. Acta Physica Sinica,
2006, 55(6): 2877-2881.
doi: 10.7498/aps.55.2877
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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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Lin Shao-Jie, Zheng Hao-Ping. Electronic structure of the surface of LaNi5 crystal. Acta Physica Sinica,
2005, 54(10): 4680-4687.
doi: 10.7498/aps.54.4680
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