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Wang Shao-Xia, Zhao Xu-Cai, Pan Duo-Qiao, Pang Guo-Wang, Liu Chen-Xi, Shi Lei-Qian, Liu Gui-An, Lei Bo-Cheng, Huang Yi-Neng, Zhang Li-Li.First principle study of influence of transition metal (Cr, Mn, Fe, Co) doping on magnetism of TiO2. Acta Physica Sinica, 2020, 69(19): 197101.doi:10.7498/aps.69.20200644 |
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Liu Fei, Wen Zhi-Peng.First principle study of occupancy, bonding characteristics and alloying effect of Zr, Nb, V in bulkα-Fe(C). Acta Physica Sinica, 2019, 68(13): 137101.doi:10.7498/aps.68.20182282 |
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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.doi:10.7498/aps.67.20172504 |
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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.doi:10.7498/aps.66.067202 |
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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.doi:10.7498/aps.65.066101 |
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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.doi:10.7498/aps.65.127102 |
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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.doi:10.7498/aps.64.227303 |
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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.doi:10.7498/aps.64.236102 |
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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.doi:10.7498/aps.63.148101 |
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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.doi:10.7498/aps.62.037101 |
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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.doi:10.7498/aps.62.187102 |
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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.doi:10.7498/aps.62.167502 |
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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.doi:10.7498/aps.60.026102 |
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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.doi:10.7498/aps.60.097503 |
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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.doi:10.7498/aps.60.107104 |
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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.doi:10.7498/aps.60.047110 |
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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.doi:10.7498/aps.57.3740 |
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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.doi:10.7498/aps.57.7800 |
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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.doi:10.7498/aps.55.2928 |
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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.doi:10.7498/aps.53.3545 |
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