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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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Yang Hai-Lin, Chen Qi-Li, Gu Xing, Lin Ning. First-principles calculations of O-atom diffusion on fluorinated graphene. Acta Physica Sinica,
2023, 72(1): 016801.
doi: 10.7498/aps.72.20221630
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Ding Li-Jie, Zhang Xiao-Tian, Guo Xin-Yi, Xue Yang, Lin Chang-Qing, Huang Dan. First-principles study of SrSnO3 as transparent conductive oxide. Acta Physica Sinica,
2023, 72(1): 013101.
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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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Zhang Ao, Zhang Chun-Xiu, Zhang Chun-Mei, Tian Yi-Min, Yan Jun, Meng Tao. Effects of CH3NH3 polymer formation on performance of organic-inorganic hybrid perovskite solar cell. Acta Physica Sinica,
2021, 70(16): 168801.
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Yang Wei, Han Jiang-Chao, Cao Yuan, Lin Xiao-Yang, Zhao Wei-Sheng. Efficient spin injection in Fe3GeTe2/h-BN/graphene heterostructure. Acta Physica Sinica,
2021, 70(12): 129101.
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Lu Xin, Xie Meng-Lin, Liu Jing, Jin Wei, Li Chun, Georgios Lefkidis, Wolfgang Hübner. First-principles study of ultrafast spin dynamics in FemB20 (m = 1, 2) clusters. Acta Physica Sinica,
2021, 70(12): 127505.
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Hu Qian-Ku, Hou Yi-Ming, Wu Qing-Hua, Qin Shuang-Hong, Wang Li-Bo, Zhou Ai-Guo. Theoretical calculations of stabilities and properties of transition metal borocarbides TM3B3C and TM4B3C2 compound. Acta Physica Sinica,
2019, 68(9): 096201.
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Zheng Lu-Min, Zhong Shu-Ying, Xu Bo, Ouyang Chu-Ying. First-principles study of rare-earth-doped cathode materials Li2MnO3 in Li-ion batteries. Acta Physica Sinica,
2019, 68(13): 138201.
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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.
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Chen Mei-Na, Zhang Lei, Gao Hui-Ying, Xuan Yan, Ren Jun-Feng, Lin Zi-Jing. DFT+U calculation of Sm3+ and Sr2+ co-doping effect on performance of CeO2-based electrolyte. Acta Physica Sinica,
2018, 67(8): 088202.
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Zhang Shu-Ting, Sun Zhi, Zhao Lei. First-principles study of graphene nanoflakes with large spin property. Acta Physica Sinica,
2018, 67(18): 187102.
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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.
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Wang Xiao-Tian, Dai Xue-Fang, Jia Hong-Ying, Wang Li-Ying, Liu Ran, Li Yong, Liu Xiao-Chuang, Zhang Xiao-Ming, Wang Wen-Hong, Wu Guang-Heng, Liu Guo-Dong. The band inversion and topological insulating state of Heusler alloys:X2RuPb (X=Lu, Y). Acta Physica Sinica,
2014, 63(2): 023101.
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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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Ding Hang-Chen, Shi Si-Qi, Jiang Ping, Tang Wei-Hua. First-principles investigation on the phase transitions of BiFeO3. Acta Physica Sinica,
2010, 59(12): 8789-8793.
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Zhang Hui, Liu Yong-Jun, Pan Li-Hua, Zhang Yu. First-principles study of Co doped BiFeO3. Acta Physica Sinica,
2009, 58(10): 7141-7146.
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Liu Li-Hua, Zhang Ying, Lü Guang-Hong, Deng Sheng-Hua, Wang Tian-Min. First-principles study of the effects of Sr segregated on Al grain boundary. Acta Physica Sinica,
2008, 57(7): 4428-4433.
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Li Jun, Zhou Xian-Ming, Li Jia-Bo, Li Sai-Nan, Zhu Wen-Jun, Wang Xiang, Jing Fu-Qian. Shock-induced phase transition of z-cut lithium tantalate single crystal. Acta Physica Sinica,
2007, 56(11): 6557-6564.
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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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