[1] |
Pan Feng-Chun, Lin Xue-Ling, Wang Xu-Ming.First-principles study of strain effect on magnetic and optical properties in (Ga, Mo)Sb. Acta Physica Sinica, 2022, 71(9): 096103.doi:10.7498/aps.71.20212316 |
[2] |
Ye Jian-Feng, Qing Ming-Zhe, Xiao Qing-Quan, Wang Ao-Shuang, He An-Na, Xie Quan.First-principles study of electronic structure , magnetic and optical properties of Ti, V, Co and Ni doped two-dimensional CrSi2materials. Acta Physica Sinica, 2021, 70(22): 227301.doi:10.7498/aps.70.20211023 |
[3] |
Luo Qiang, Yang Heng, Guo Ping, Zhao Jian-Fei.Density functional theory calculation of structure and electronic properties in N-methane hydrate. Acta Physica Sinica, 2019, 68(16): 169101.doi:10.7498/aps.68.20182230 |
[4] |
Yang Zhen-Qing, Bai Xiao-Hui, Shao Chang-Jin.Density functional theory studies of (TiO2)12 quantum ring and its electronic properties when doped with transition metal compounds. Acta Physica Sinica, 2015, 64(7): 077102.doi:10.7498/aps.64.077102 |
[5] |
Hu Yong-Jin, Wu Yun-Pei, Liu Guo-Ying, Luo Shi-Jun, He Kai-Hua.Structural phase transition, electronic structures and optical properties of ZnTe. Acta Physica Sinica, 2015, 64(22): 227802.doi:10.7498/aps.64.227802 |
[6] |
Wu Qiong, Liu Jun, Dong Qian-Min, Liu Yang, Liang Pei, Shu Hai-Bo.Quantum confinement effect on electronic and optical properties of SnS. Acta Physica Sinica, 2014, 63(6): 067101.doi:10.7498/aps.63.067101 |
[7] |
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 |
[8] |
Xu Ying-Ying, Kan Yu-He, Wu Jie, Tao Wei, Su Zhong-Min.Theoretical study on the electronic structures and photophysical properties of carbon nanorings and their analogues. Acta Physica Sinica, 2013, 62(8): 083101.doi:10.7498/aps.62.083101 |
[9] |
Cao Qing-Song, Yuan Yong-Bo, Xiao Chuan-Yun, Lu Rui-Feng, Kan Er-Jun, Deng Kai-Ming.Density functional study on the geometric and electronic properties of C80H80. Acta Physica Sinica, 2012, 61(10): 106101.doi:10.7498/aps.61.106101 |
[10] |
Zhang Zhi-Long, Chen Yu-Hong, Ren Bao-Xing, Zhang Cai-Rong, Du Rui, Wang Wei-Chao.Density functional theory study on the structure and properties of (HMgN3)n(n=15) clusters. Acta Physica Sinica, 2011, 60(12): 123601.doi:10.7498/aps.60.123601 |
[11] |
Zhang Xiu-Rong, Wu Li-Qing, Rao Qian.Theoretical study of electronic structure and optical properties of OsnN0,(n=1 6) clusters. Acta Physica Sinica, 2011, 60(8): 083601.doi:10.7498/aps.60.083601 |
[12] |
Wang Jiang-Long, Ge Zhi-Qi, Li Hui-Ling, Liu Hong-Fei, Yu Wei.Electronic structure and magnetic propertiesof post-perovskite CaRhO3. Acta Physica Sinica, 2011, 60(4): 047107.doi:10.7498/aps.60.047107 |
[13] |
Jin Rong, Chen Xiao-Hong.Structure and properties of ZrnPd clusters by density-functional theory. Acta Physica Sinica, 2010, 59(10): 6955-6962.doi:10.7498/aps.59.6955 |
[14] |
Tang Hui-Shuai, Zhang Xiu-Rong, Gao Cong-Hua, Wu Li-Qing.The theory study of electronic structures and spectram properties of WnNim(n+m≤7; m=1, 2) clusters. Acta Physica Sinica, 2010, 59(8): 5429-5438.doi:10.7498/aps.59.5429 |
[15] |
Chen Liang, Xu Can, Zhang Xiao-Fang.Electronic properties of MgO nanotube clusters studied with density functional theory. Acta Physica Sinica, 2009, 58(3): 1603-1607.doi:10.7498/aps.58.1603 |
[16] |
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 |
[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, 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 |
[20] |
Wang Gui-Chun, Yuan Jian-Min.Structure and electronic properties of the low-dimensional copper systems. Acta Physica Sinica, 2003, 52(4): 970-977.doi:10.7498/aps.52.970 |