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Liu Fei, Wen Zhi-Peng. First principle study of occupancy, bonding characteristics and alloying effect of Zr, Nb, V in bulk α-Fe(C). Acta Physica Sinica,
2019, 68(13): 137101.
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Xu Da-Qing, Zhao Zi-Han, Li Pei-Xian, Wang Chao, Zhang Yan, Liu Shu-Lin, Tong Jun. First-principle study on electronic structures, magnetic, and optical properties of different valence Mn ions doped InN. Acta Physica Sinica,
2018, 67(8): 087501.
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Hou Qing-Yu, Li Yong, Zhao Chun-Wang. First-principles study of Al-doped and vacancy on the magnetism of ZnO. Acta Physica Sinica,
2017, 66(6): 067202.
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Wang Bu-Sheng, Liu Yong. Electronic structure and magnetic properties of MnTe from first-principles calculations. Acta Physica Sinica,
2016, 65(6): 066101.
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Hou Zhen-Tao, Li Yan-Ru, Liu He-Yan, Dai Xue-Fang, Liu Guo-Dong, Liu Cai-Chi, Li Ying. Effect of Ga vacancy on the magnetism in GaN:Gd: First-principles calculation. Acta Physica Sinica,
2016, 65(12): 127102.
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Li Li-Ming, Ning Feng, Tang Li-Ming. First-principles study of effects of quantum confinement and strain on the electronic properties of GaSb nanowires. Acta Physica Sinica,
2015, 64(22): 227303.
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Peng Jun-Hui, Zeng Qing-Feng, Xie Cong-Wei, Zhu Kai-Jin, Tan Jun-Hua. High-pressure structure prediction of Hf-C system and first-principle simulation of their electronic properties. Acta Physica Sinica,
2015, 64(23): 236102.
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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.
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Hou Qing-Yu, Dong Hong-Ying, Ying Chun, Ma Wen. First-principles study on the effect of high Mn doped on the band gap and absorption spectrum of ZnO. Acta Physica Sinica,
2013, 62(3): 037101.
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Cao Juan, Cui Lei, Pan Jing. Magnetism of V, Cr and Mn doped MoS2 by first-principal study. Acta Physica Sinica,
2013, 62(18): 187102.
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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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He Xu, He Lin, Tang Ming-Jie, Xu Ming. Effects of the vacancy point-defect on electronic structure and optical properties of LiF under high pressure: A first principles investigation. Acta Physica Sinica,
2011, 60(2): 026102.
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Li Kai, Tang Yong-Jian, Luo Jiang-Shan, Yi Yong, Ding Zhi-Jie. First-principles calculations of electronic structure and magnetism of Ni4NdB. Acta Physica Sinica,
2011, 60(9): 097503.
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Liu Xin-Hao, Lin Jing-Bo, Liu Yan-Hui, Jin Ying-Jiu. First-principles study on the electronic structures, magnetism, and half-metallicity of full-Heusler X2YGa (X=Co, Fe, Ni; Y=V,Cr, Mn) alloys. Acta Physica Sinica,
2011, 60(10): 107104.
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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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Guo Jian-Yun, Zheng Guang, He Kai-Hua, Chen Jing-Zhong. First-principles study on electronic structure and optical properties of Al and Mg doped GaN. Acta Physica Sinica,
2008, 57(6): 3740-3746.
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Bi Yan-Jun, Guo Zhi-You, Sun Hui-Qing, Lin Zhu, Dong Yu-Cheng. The electronic structure and optical properties of Co and Mn codoped ZnO from first-principle study. Acta Physica Sinica,
2008, 57(12): 7800-7805.
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Zhang Jia-Hong, Liu Su, Gu Fang, Yang Li-Juan, Liu Mei. First-principles calculations of electronic structure and magnetism of Gd2Co2Al. Acta Physica Sinica,
2006, 55(6): 2928-2935.
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Guo Xu-Guang, Chen Xiao-Shuang, Sun Yan-Lin, Zhou Xiao-Hao, Sun Li-Zhong, Lu Wei. First principles study of interstitial Mn self-compensation effects in (Ga,Mn)As. Acta Physica Sinica,
2004, 53(10): 3545-3549.
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