[1] |
Zheng Peng-Fei, Liu Zhi-Xu, Wang Chao, Liu Wei-Fang.First principles study on polarization and piezoelectric properties of group substitution regulated lead-free organic perovskite ferroelectrics. Acta Physica Sinica, 2024, 73(12): 126202.doi:10.7498/aps.73.20240385 |
[2] |
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 |
[3] |
Zhou Jin-Ping, Li Chun-Mei, Jiang Bo, Huang Ren-Zhong.First-principles study of Co and Ni excess effects on crystal structure and phase stability of Co2NiGa alloy. Acta Physica Sinica, 2023, 72(15): 156301.doi:10.7498/aps.72.20230626 |
[4] |
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 |
[5] |
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 |
[6] |
.First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211631 |
[7] |
Liu Zi-Yuan, Pan Jin-Bo, Zhang Yu-Yang, Du Shi-Xuan.First principles calculation of two-dimensional materials at an atomic scale. Acta Physica Sinica, 2021, 70(2): 027301.doi:10.7498/aps.70.20201636 |
[8] |
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 |
[9] |
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 |
[10] |
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 |
[11] |
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 |
[12] |
Luo Ming-Hai, Li Ming-Kai, Zhu Jia-Kun, Huang Zhong-Bing, Yang Hui, He Yun-Bin.First-principles study on thermodynamic properties of CdxZn1-xO alloys. Acta Physica Sinica, 2016, 65(15): 157303.doi:10.7498/aps.65.157303 |
[13] |
Chen Jia-Hua, Liu En-Ke, Li Yong, Qi Xin, Liu Guo-Dong, Luo Hong-Zhi, Wang Wen-Hong, Wu Guang-Heng.First-principles investigations on tetragonal distortion, electronic structure, magnetism, and phonon dispersion of Ga2XCr (X = Mn, Fe, Co, Ni, Cu) Heusler alloys. Acta Physica Sinica, 2015, 64(7): 077104.doi:10.7498/aps.64.077104 |
[14] |
Wang Xiao-Tian, Dai Xue-Fang, Jia Hong-Ying, Wang Li-Ying, Zhang Xiao-Ming, Cui Yu-Ting, Wang Wen-Hong, Wu Guang-Heng, Liu Guo-Dong.Band inversion in half Heusler-type Na1-xCsxAlGe(0 x 1). Acta Physica Sinica, 2014, 63(5): 053103.doi:10.7498/aps.63.053103 |
[15] |
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 |
[16] |
Zhang Xiao-Ming, Liu Guo-Dong, Du Yin, Liu En-Ke, Wang Wen-Hong, Wu Guang-Heng, Liu Zhong-Yuan.Investigation on regulating the topological electronic structure of the half-Heusler compound LaPtBi. Acta Physica Sinica, 2012, 61(12): 123101.doi:10.7498/aps.61.123101 |
[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] |
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 |
[19] |
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.doi:10.7498/aps.57.2368 |
[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 |