[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] |
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 |
[3] |
Wan Ming-Jun, Li Chun-Fu, Wen Ping, Zhang Feng-Chun, Wang Yao, Liu En-Zuo.The bond characters and phase stability effects of Cr Mo and Ni in bulk -Fe(C. Acta Physica Sinica, 2016, 65(3): 037101.doi:10.7498/aps.65.037101 |
[4] |
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 |
[5] |
Dai Guang-Zhen, Jiang Xian-Wei, Xu Tai-Long, Liu Qi, Chen Jun-Ning, Dai Yue-Hua.Effect of oxygen vacancy on lattice and electronic properties of HfO2 by means of density function theory study. Acta Physica Sinica, 2015, 64(3): 033101.doi:10.7498/aps.64.033101 |
[6] |
Yu Ben-Hai, Chen Dong.Phase transition, electronic and optical properties of Si3N4 new phases at high pressure with density functional theory. Acta Physica Sinica, 2014, 63(4): 047101.doi:10.7498/aps.63.047101 |
[7] |
Lü Jin, Yang Li-Jun, Wang Yan-Fang, Ma Wen-Jin.Density functional theory study of structure characteristics and stabilities of Al2Sn(n=2-10) clusters. Acta Physica Sinica, 2014, 63(16): 163601.doi:10.7498/aps.63.163601 |
[8] |
Zhang Bei, Bao An, Chen Chu, Zhang Jun.Density-functional theory study of ConCm (n=15, m=1,2) clusters. Acta Physica Sinica, 2012, 61(15): 153601.doi:10.7498/aps.61.153601 |
[9] |
Zheng Shu-Wen, Fan Guang-Han, He Miao, Yao Guang-Rui, Chen Jun, He Long-Fei.Study on the electronic structures and energy band properties of Cd-doped wurtzite BeO. Acta Physica Sinica, 2012, 61(17): 177102.doi:10.7498/aps.61.177102 |
[10] |
Zheng Shu-Wen, Fan Guang-Han, Zhang Yong, He Miao, Li Shu-Ti, Zhang Tao.Study on the lattice constants and energy band properties of Be and Ca doped wurtzite ZnO. Acta Physica Sinica, 2012, 61(22): 227101.doi:10.7498/aps.61.227101 |
[11] |
Chen Yue-Yun, Hou Chun-Ju, Kong Xiang-Shan, Liu Chang-Song, Wang Xian-Ping, Fang Qian-Feng.Theorectical study of the oxide-ion conductorLa2Mo2-xMxO9(M=Cr,W). Acta Physica Sinica, 2011, 60(4): 046603.doi:10.7498/aps.60.046603 |
[12] |
Tang Hui-Shuai, Zhang Xiu-Rong, Kang Zhang-Li, Wu Li-Qing.Theoretical study of geometry structures and stability of OsnN0,±(n=1—6) clusters. Acta Physica Sinica, 2011, 60(5): 053601.doi:10.7498/aps.60.053601 |
[13] |
Sun Lu-Shi, Zhang An-Chao, Xiang Jun, Guo Pei-Hong, Liu Zhi-Chao, Su Sheng.Density functional study of interation of Hg with small gold clusters. Acta Physica Sinica, 2011, 60(7): 073103.doi:10.7498/aps.60.073103 |
[14] |
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 |
[15] |
Li Xi-Bo, Wang Hong-Yan, Luo Jiang-Shan, Wu Wei-Dong, Tang Yong-Jian.Density functional theory study of the geometry, stability and electronic properties of ScnO(n=1—9) clusters. Acta Physica Sinica, 2009, 58(9): 6134-6140.doi:10.7498/aps.58.6134 |
[16] |
Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Pu Zhong-Sheng.Density functional theory study of the structures and properties of (Li3N)n(n=1—5) clusters. Acta Physica Sinica, 2008, 57(7): 4174-4181.doi:10.7498/aps.57.4174 |
[17] |
Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Yuan Li-Hua, Li Yan-Long.Density functional theory study on the structures and properties of (Ca3N2)n(n=1—4) clusters. Acta Physica Sinica, 2008, 57(10): 6265-6270.doi:10.7498/aps.57.6265 |
[18] |
Li Xi-Bo, Luo Jiang-Shan, Guo Yun-Dong, Wu Wei-Dong, Wang Hong-Yan, Tang Yong-Jian.Density functional theory study of the stability, electronic and magnetic properties of Scn, Yn and Lan (n=2—10) clusters. Acta Physica Sinica, 2008, 57(8): 4857-4865.doi:10.7498/aps.57.4857 |
[19] |
Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Ma Jun.Density functional theory study of [Mg(NH2)2]n(n=1—5) clusters. Acta Physica Sinica, 2008, 57(8): 4866-4874.doi:10.7498/aps.57.4866 |
[20] |
Chen Yu-Hong, Zhang Cai-Rong, Ma Jun.Density functional theory study on the structure and properties of MgmBn(m=1,2;n=1—4) clusters. Acta Physica Sinica, 2006, 55(1): 171-178.doi:10.7498/aps.55.171 |