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ZHENG Shijiao, YANG Wenyue, YANG Zhi, XU Lichun, FENG Lin, CHEN Bo, XUE Lin. Intrinsic point defects and optoelectronic properties in monolayer Z-Bi2O2Se. Acta Physica Sinica,
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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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Yan Li-Bin, Bai Yu-Rong, Li Pei, Liu Wen-Bo, He Huan, He Chao-Hui, Zhao Xiao-Hong. First-principles calculations of point defect migration mechanisms in InP. Acta Physica Sinica,
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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,
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Wang Xiao, Huang Sheng-Xiang, Luo Heng, Deng Lian-Wen, Wu Hao, Xu Yun-Chao, He Jun, He Long-Hui. First-principles study of electronic structure and optical properties of nickel-doped multilayer graphene. Acta Physica Sinica,
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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,
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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 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,
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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,
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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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Hu Wang-Yu, Yang Jian-Yu, Ao Bing-Yun, Wang Xiao-Lin, Chen Pi-Heng, Shi Peng. Energy calculation of point defects in plutonium by embedded atom method. Acta Physica Sinica,
2010, 59(7): 4818-4825.
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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,
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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,
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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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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,
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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.
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