[1] |
Yan Zhi, Fang Cheng, Wang Fang, Xu Xiao-Hong.First-principles calculations of structural and magnetic properties of SmCo3alloys doped with transition metal elements. Acta Physica Sinica, 2024, 73(3): 037502.doi:10.7498/aps.73.20231436 |
[2] |
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 |
[3] |
Ding Li-Jie, Zhang Xiao-Tian, Guo Xin-Yi, Xue Yang, Lin Chang-Qing, Huang Dan.First-principles study of SrSnO3as transparent conductive oxide. Acta Physica Sinica, 2023, 72(1): 013101.doi:10.7498/aps.72.20221544 |
[4] |
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.doi:10.7498/aps.71.20221847 |
[5] |
Zhang Ao, Zhang Chun-Xiu, Zhang Chun-Mei, Tian Yi-Min, Yan Jun, Meng Tao.Effects of CH3NH3polymer formation on performance of organic-inorganic hybrid perovskite solar cell. Acta Physica Sinica, 2021, 70(16): 168801.doi:10.7498/aps.70.20210353 |
[6] |
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.doi:10.7498/aps.70.20202136 |
[7] |
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.doi:10.7498/aps.70.20210056 |
[8] |
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 borocarbidesTM3B3C andTM4B3C2compound. Acta Physica Sinica, 2019, 68(9): 096201.doi:10.7498/aps.68.20190158 |
[9] |
Zheng Lu-Min, Zhong Shu-Ying, Xu Bo, Ouyang Chu-Ying.First-principles study of rare-earth-doped cathode materials Li2MnO3in Li-ion batteries. Acta Physica Sinica, 2019, 68(13): 138201.doi:10.7498/aps.68.20190509 |
[10] |
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 |
[11] |
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.doi:10.7498/aps.67.20172748 |
[12] |
Zhang Shu-Ting, Sun Zhi, Zhao Lei.First-principles study of graphene nanoflakes with large spin property. Acta Physica Sinica, 2018, 67(18): 187102.doi:10.7498/aps.67.20180867 |
[13] |
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 |
[14] |
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.doi:10.7498/aps.63.023101 |
[15] |
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.doi:10.7498/aps.59.3414 |
[16] |
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.doi:10.7498/aps.59.8789 |
[17] |
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.doi:10.7498/aps.58.7141 |
[18] |
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.doi:10.7498/aps.57.4428 |
[19] |
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.doi:10.7498/aps.56.6557 |
[20] |
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 |