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Fu Xian-Kai, Chen Wan-Qi, Jiang Zhong-Sheng, Yang Bo, Zhao Xiang, Zuo Liang.First-principles investigation on elastic, electronic, and optical properties of Ti3O5. Acta Physica Sinica, 2019, 68(20): 207301.doi:10.7498/aps.68.20190664 |
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Jia Wan-Li, Zhou Miao, Wang Xin-Mei, Ji Wei-Li.First-principles study on the optical properties of Fe-doped GaN. Acta Physica Sinica, 2018, 67(10): 107102.doi:10.7498/aps.67.20172290 |
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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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Yang Biao, Wang Li-Ge, Yi Yong, Wang En-Ze, Peng Li-Xia.First-principles calculations of the diffusion behaviors of C, N and O atoms in V metal. Acta Physica Sinica, 2015, 64(2): 026602.doi:10.7498/aps.64.026602 |
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Shi Yu, Bai Yang, Mo Li-Bin, Xiang Qing-Yun, Huang Ya-Li, Cao Jiang-Li.First-principles calculation for hydrogen-doped hematite. Acta Physica Sinica, 2015, 64(11): 116301.doi:10.7498/aps.64.116301 |
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Wang Hai-Yan, Gao Xue-Yun, Ren Hui-Ping, Zhang Hong-Wei, Tan Hui-Jie.First-principles characterization of lanthanum occupying tendency in -Fe and effect on grain boundaries. Acta Physica Sinica, 2014, 63(14): 148101.doi:10.7498/aps.63.148101 |
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Luo Qiang, Tang Bin, Zhang Zhi, Ran Zeng-Ling.First principles calculation of adsorption for H2S on Fe(100) surface. Acta Physica Sinica, 2013, 62(7): 077101.doi:10.7498/aps.62.077101 |
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Lu Zhi-Peng, Zhu Wen-Jun, Lu Tie-Cheng.Ab initio study of the bcc-to-hcp transition mechanism in Fe under pressure. Acta Physica Sinica, 2013, 62(5): 056401.doi:10.7498/aps.62.056401 |
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Xie Dong, Leng Yong-Xiang, Huang Nan.Deposition and first-principles caculation of carbon-doped titanium monoxide films. Acta Physica Sinica, 2013, 62(19): 198103.doi:10.7498/aps.62.198103 |
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Zhou Peng-Li, Shi Ru-Qian, He Jing-Fang, Zheng Shu-Kai.First principle study on B-Al co-doped 3C-SiC. Acta Physica Sinica, 2013, 62(23): 233101.doi:10.7498/aps.62.233101 |
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Li Hong-Lin, Zhang Zhong, Lü Ying-Bo, Huang Jin-Zhao, Zhang Ying, Liu Ru-Xi.First principles study on the electronic and optical properties of ZnO doped with rare earth. Acta Physica Sinica, 2013, 62(4): 047101.doi:10.7498/aps.62.047101 |
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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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Ru Qiang, Li Yan-Ling, Hu She-Jun, Peng Wei, Zhang Zhi-Wen.The investigation of lithium insertion mechanism for Sn3InSb4 alloy based on first-principle calculation. Acta Physica Sinica, 2012, 61(3): 038210.doi:10.7498/aps.61.038210 |
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Xia Zhong-Qiu, Li Rong-Ping.First principles study of rare earth doped in ZnTe used for CdTe solar cell back contact layer. Acta Physica Sinica, 2012, 61(1): 017108.doi:10.7498/aps.61.017108 |
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Meng Zhen-Hua, Li Jun-Bin, Guo Yong-Quan, Wang Yi.Correlations between the valence electron structure and melt pointing and cohesive energies of rare earth metals. Acta Physica Sinica, 2012, 61(10): 107101.doi:10.7498/aps.61.107101 |
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Zhang Yi-Jun, Yan Jin-Liang, Zhao Gang, Xie Wan-Feng.First-principles calculation and experimental study of Si-doped β-Ga2O3. Acta Physica Sinica, 2011, 60(3): 037103.doi:10.7498/aps.60.037103 |
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Hu Yu-Ping, Ping Kai-Bin, Yan Zhi-Jie, Yang Wen, Gong Chang-Wei.First-principles calculations of structure and magnetic properties of -Fe(Si)phase precipitated in the Finemet alloy. Acta Physica Sinica, 2011, 60(10): 107504.doi:10.7498/aps.60.107504 |
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Li Shi-Na, Liu Yong.First-principles calculation of elastic and thermodynamic properties of copper nitride. Acta Physica Sinica, 2010, 59(10): 6882-6888.doi:10.7498/aps.59.6882 |
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Zhu Guo-Liang, Shu Da, Dai Yong-Bing, Wang Jun, Sun Bao-De.First principles study on substitution behaviour of Si in TiAl3. Acta Physica Sinica, 2009, 58(13): 210-S215.doi:10.7498/aps.58.210 |
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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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