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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,
2024, 73(3): 037502.
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Wang Xiao-Fei, Meng Wei-Wei, Zhao Pei-Li, Jia Shuang-Feng, Zheng He, Wang Jian-Bo. Band gap anomaly in single-layer Nb2SiTe4-based compounds. Acta Physica Sinica,
2023, 72(5): 057102.
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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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Chen Guang-Ping, Yang Jin-Ni, Qiao Chang-Bing, Huang Lu-Jun, Yu Jing. First-principles calculations of local structure and electronic properties of Er3+-doped TiO2. Acta Physica Sinica,
2022, 71(24): 246102.
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Yan Xiao-Tong, Hou Yu-Hua, Zheng Shou-Hong, Huang You-Lin, Tao Xiao-Ma. First-principles study of effects of Ga, Ge and As doping on electrochemical properties and electronic structure of Li2CoSiO4 serving as cathode material for Li-ion batteries. Acta Physica Sinica,
2019, 68(18): 187101.
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Jiao Zhao-Yong, Guo Yong-Liang, Niu Yi-Jun, Zhang Xian-Zhou. The first principle study of electronic and optical properties of defect chalcopyrite XGa2S4 (X=Zn, Cd, Hg). Acta Physica Sinica,
2013, 62(7): 073101.
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Deng Jiao-Jiao, Liu Bo, Gu Mu, Liu Xiao-Lin, Huang Shi-Ming, Ni Chen. First principles calculation of electronic structures and optical properties for -CuX(X = Cl, Br, I). Acta Physica Sinica,
2012, 61(3): 036105.
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Li Rong, Luo Xiao-Ling, Liang Guo-Ming, Fu Wen-Sheng. First-principles study of influence of dopants Fe on the dehydrogenation properties of VH2. Acta Physica Sinica,
2011, 60(11): 117105.
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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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Tan Xing-Yi, Jin Ke-Xin, Chen Chang-Le, Zhou Chao-Chao. Electronic structure of YFe2B2by first-principles calculation. Acta Physica Sinica,
2010, 59(5): 3414-3417.
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Yang Tian-Xing, Cheng Qiang, Xu Hong-Bin, Wang Yuan-Xu. First-principles study of elastic and electronic properties of several ternary transition-metal carbides. Acta Physica Sinica,
2010, 59(7): 4919-4924.
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Zhang Xue-Jun, Gao Pan, Liu Qing-Ju. First-principles study on electronic structure and optical properties of anatase TiO2 codoped with nitrogen and iron. Acta Physica Sinica,
2010, 59(7): 4930-4938.
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Li Pei-Juan, Zhou Wei-Wei, Tang Yuan-Hao, Zhang Hua, Shi Si-Qi. Electronic structure，optical and lattice dynamical properties of CeO2：A first-principles study. Acta Physica Sinica,
2010, 59(5): 3426-3431.
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Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai. Effect of Nb on electronic structure of NiTi intermetallic compound: A first-principles study. Acta Physica Sinica,
2010, 59(1): 515-520.
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Hu Fang, Ming Xing, Fan Hou-Gang, Chen Gang, Wang Chun-Zhong, Wei Ying-Jin, Huang Zu-Fei. First-principles study on the electronic structures of the ladder compound NaV2O4F. Acta Physica Sinica,
2009, 58(2): 1173-1178.
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Ming Xing, Fan Hou-Gang, Hu Fang, Wang Chun-Zhong, Meng Xing, Huang Zu-Fei, Chen Gang. First-principles study on the electronic structures of spin-Peierls compound GeCuO3. Acta Physica Sinica,
2008, 57(4): 2368-2373.
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Song Qing-Gong, Wang Yan-Feng, Song Qing-Long, Kang Jian-Hai, Chu Yong. First-principle study on the electronic structures of intercalation compound Ag1/4TiSe2. Acta Physica Sinica,
2008, 57(12): 7827-7832.
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Song Qing-Gong, Jiang En-Yong, Pei Hai-Lin, Kang Jian-Hai, Guo Ying. First principles computational study on the stability of Li ion-vacancy two-dimensional ordered structures in intercalation compounds LixTiS2. Acta Physica Sinica,
2007, 56(8): 4817-4822.
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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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