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Yan Zhi, Fang Cheng, Wang Fang, Xu Xiao-Hong. First-principles calculations of structural and magnetic properties of SmCo3 alloys doped with transition metal elements. Acta Physica Sinica,
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Yang Hai-Lin, Chen Qi-Li, Gu Xing, Lin Ning. First-principles calculations of O-atom diffusion on fluorinated graphene. Acta Physica Sinica,
2023, 72(1): 016801.
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Wu Hong-Fen, Feng Pan-Jun, Zhang Shuo, Liu Da-Peng, Gao Miao, Yan Xun-Wang. First-principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica,
2022, 71(3): 036801.
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2021, 70(2): 027301.
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2017, 66(6): 067202.
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2014, 63(8): 087502.
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Zhang Zhao-Fu, Geng Zhao-Hui, Wang Peng, Hu Yao-Qiao, Zheng Yu-Fei, Zhou Tie-Ge. Properties of 5d atoms doped boron nitride nanotubes：a first-principles calculation and molecular orbital analysis. Acta Physica Sinica,
2013, 62(24): 246301.
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Lin Xue-Ling, Pan Feng-Chun. The magnetism study of N-doped diamond. Acta Physica Sinica,
2013, 62(16): 166102.
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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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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,
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He Jie, Chen Jun, Wang Xiao-Zhong, Lin Li-Bin. The first principles study on mechanical propertiesof He doped grain boundary of Al. Acta Physica Sinica,
2011, 60(7): 077104.
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Wang Zhi-Gang, Zhang Yang, Wen Yu-Hua, Zhu Zi-Zhong. First-principles calculation of structural stability and electronic properties of ZnO atomic chains. Acta Physica Sinica,
2010, 59(3): 2051-2056.
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Lü Quan, Huang Wei-Qi, Wang Xiao-Yun, Meng Xiang-Xiang. The first-principle calculations and analysis on density of states of silion plane (111) formed by nitrogen film. Acta Physica Sinica,
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2008, 57(7): 4428-4433.
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Zhang Jia-Hong, Ma Rong, Liu Su, Liu Mei. First-principles calculations on the superconductivity and magnetism of doping MgCNi3. Acta Physica Sinica,
2006, 55(9): 4816-4821.
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