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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.doi:10.7498/aps.71.20211631 |
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.First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211631 |
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Wang Yan, Cao Qian-Hui, Hu Cui-E, Zeng Zhao-Yi.First-principles calculations of high pressure phase transition of Ce-La-Th alloy. Acta Physica Sinica, 2019, 68(8): 086401.doi:10.7498/aps.68.20182128 |
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Ye Hong-Jun, Wang Da-Wei, Jiang Zhi-Jun, Cheng Sheng, Wei Xiao-Yong.Ferroelectric phase transition of perovskite SnTiO3 based on the first principles. Acta Physica Sinica, 2016, 65(23): 237101.doi:10.7498/aps.65.237101 |
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Ma Lei, Wang Xu, Shang Jia-Xiang.Effect of Pd in NiTi on the martensitic transformation temperatures and hysteresis: a first-principles study. Acta Physica Sinica, 2014, 63(23): 233103.doi:10.7498/aps.63.233103 |
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Liu Ben-Qiong, Xie Lei, Duan Xiao-Xi, Sun Guang-Ai, Chen Bo, Song Jian-Ming, Liu Yao-Guang, Wang Xiao-Lin.First principles studies of phase transition and mechanical properties of uranium. Acta Physica Sinica, 2013, 62(17): 176104.doi:10.7498/aps.62.176104 |
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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.doi:10.7498/aps.62.073101 |
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Wang Ping, Guo Li-Xin, Yang Yin-Tang, Zhang Zhi-Yong.First-principles study on electronic structures of Al, N Co-doped ZnO nanotubes. Acta Physica Sinica, 2013, 62(5): 056105.doi:10.7498/aps.62.056105 |
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Zhou Ping, Wang Xin-Qiang, Zhou Mu, Xia Chuan-Hui, Shi Ling-Na, Hu Cheng-Hua.First-principles study of pressure induced phase transition, electronic structure and elastic properties of CdS. Acta Physica Sinica, 2013, 62(8): 087104.doi:10.7498/aps.62.087104 |
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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.doi:10.7498/aps.61.036105 |
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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.doi:10.7498/aps.59.4930 |
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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.doi:10.7498/aps.59.3426 |
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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.doi:10.7498/aps.59.2051 |
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Ji Zheng-Hua, Zeng Xiang-Hua, Cen Jie-Ping, Tan Ming-Qiu.Electronic structure and phase transformation in ZnSe: An ab initio study. Acta Physica Sinica, 2010, 59(2): 1219-1224.doi:10.7498/aps.59.1219 |
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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.doi:10.7498/aps.59.515 |
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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.doi:10.7498/aps.58.1173 |
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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.doi:10.7498/aps.57.7827 |
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Huang Dan, Shao Yuan-Zhi, Chen Di-Hu, Guo Jin, Li Guang-Xu.First-principles calculation on the electronic structure and absorption spectrum of the wurtzite Zn1-xMgxO alloys. Acta Physica Sinica, 2008, 57(2): 1078-1083.doi:10.7498/aps.57.1078 |
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Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai.Effect of Nb doping on electronic structure of TiO2/NiTi interface: A first-principle study. Acta Physica Sinica, 2008, 57(12): 7794-7799.doi:10.7498/aps.57.7794 |
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Zhu Jian-Xin, Li Yong-Hua, Meng Fan-Ling, Liu Chang-Sheng, Zheng Wei-Tao, Wang Yu-Ming.A first principles investigation on NiTi alloy. Acta Physica Sinica, 2008, 57(11): 7204-7209.doi:10.7498/aps.57.7204 |
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