[1] |
Chen Tun, Cui Jie-Chao, Li Min, Chen Wen, Sun Zhi-Peng, Fu Bao-Qin, Hou Qing.First-principles study on effects of alloying elements Sn and Nb on phase stability of corrosion oxide films of zirconium alloys. Acta Physica Sinica, 2024, 73(15): 157101.doi:10.7498/aps.73.20240602 |
[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] |
Yang Shun-Jie, Li Chun-Mei, Zhou Jin-Ping.First-principles study of magnetic disordering and alloying effects on phase stability and elastic constants of Co2CrZ(Z= Ga, Si, Ge) alloys. Acta Physica Sinica, 2022, 71(10): 106201.doi:10.7498/aps.71.20212254 |
[4] |
Wang Yan, Chen Nan-Di, Yang Chen, Zeng Zhao-Yi, Hu Cui-E, Chen Xiang-Rong.Thermoelectric transport properties of two-dimensional materialsXTe2(X= Pd, Pt) via first-principles calculations. Acta Physica Sinica, 2021, 70(11): 116301.doi:10.7498/aps.70.20201939 |
[5] |
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 |
[6] |
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 |
[7] |
Liu Qi, Guan Peng-Fei.First principle study on atomic structure of La65X35(X=Ni, Al) metallic glasses. Acta Physica Sinica, 2018, 67(17): 178101.doi:10.7498/aps.67.20180992 |
[8] |
Bai Jing, Wang Xiao-Shu, Zu Qi-Rui, Zhao Xiang, Zuo Liang.Defect stabilities and magnetic properties of Ni-X-In (X= Mn, Fe and Co) alloys: a first-principle study. Acta Physica Sinica, 2016, 65(9): 096103.doi:10.7498/aps.65.096103 |
[9] |
Xin Yue-Peng, Ma Yue-Xing, Hao Hong-Yue, Meng Fan-Bin, Liu He-Yan, Luo Hong-Zhi.Site preference in isoelectronic Heusler alloy Fe2RuSi. Acta Physica Sinica, 2016, 65(14): 147102.doi:10.7498/aps.65.147102 |
[10] |
Ma Zhen-Ning, Jiang Min, Wang Lei.First-principles study of electronic structures and phase stabilities of ternary intermetallic compounds in the Mg-Y-Zn alloys. Acta Physica Sinica, 2015, 64(18): 187102.doi:10.7498/aps.64.187102 |
[11] |
Zhang Zhao-Fu, Geng Zhao-Hui, Wang Peng, Hu Yao-Qiao, Zheng Yu-Fei, Zhou Tie-Ge.Properties of 5d atoms doped boron nitride nanotubes:a first-principles calculation and molecular orbital analysis. Acta Physica Sinica, 2013, 62(24): 246301.doi:10.7498/aps.62.246301 |
[12] |
Zhang Yu-Jie, Li Gui-Jiang, Liu En-Ke, Chen Jing-Lan, Wang Wen-Hong, Wu Guang-Heng, Hu Jun-Xiong.Local ferromagnetic structure in Heusler alloy Mn2CoGa and Mn2CoAl doped by Cr, Fe and Co. Acta Physica Sinica, 2013, 62(3): 037501.doi:10.7498/aps.62.037501 |
[13] |
Zheng Shu-Wen, Fan Guang-Han, Li Shu-Ti, Zhang Tao, Su Chen.Energy band properties and phase stability of Be1-xMgxO alloy. Acta Physica Sinica, 2012, 61(23): 237101.doi:10.7498/aps.61.237101 |
[14] |
Lü Quan, Huang Wei-Qi, Wang Xiao-Yun, Meng Xiang-Xiang.The first-principle calculations and analysis on density of states of silion plane (111) formed by nitrogen film. Acta Physica Sinica, 2010, 59(11): 7880-7884.doi:10.7498/aps.59.7880 |
[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] |
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 |
[17] |
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 |
[18] |
Xu Wen-Wu, Song Xiao-Yan, Li Er-Dong, Wei Jun, Li Ling-Mei.Phase configuration and stability in the nanocrystalline Sm-Co system. Acta Physica Sinica, 2009, 58(5): 3280-3286.doi:10.7498/aps.58.3280 |
[19] |
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 |
[20] |
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.doi:10.7498/aps.56.4817 |