[1] |
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 |
[2] |
Cao Qing-Song, Deng Kai-Ming.Theoretical studies of geometric and electronic structures of X@C20F20 (X=He, Ne, Ar, Kr). Acta Physica Sinica, 2016, 65(5): 056102.doi:10.7498/aps.65.056102 |
[3] |
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 |
[4] |
Xie Xiao-Dong, Hao Yu-Ying, Zhang Ri-Guang, Wang Bao-Jun.Lithium-doped tris (8-hydroxyquinoline) aluminum studied by density functional theory. Acta Physica Sinica, 2012, 61(12): 127201.doi:10.7498/aps.61.127201 |
[5] |
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 |
[6] |
Yuan Jian-Mei, Hao Wen-Ping, Li Shun-Hui, Mao Yu-Liang.Density functional study on the adsorption of C atoms on Ni (111) surface. Acta Physica Sinica, 2012, 61(8): 087301.doi:10.7498/aps.61.087301 |
[7] |
Tang Chun-Mei, Guo Wei, Zhu Wei-Hua, Liu Ming-Yi, Zhang Ai-Mei, Gong Jiang-Feng, Wang Hui.Density functional calculations of geomatric structure, electronic structure, stability, and magnetic properties of transitional atom endohedral unclassical fullerene M@C22(M=Sc,Ti, V, Cr, Mn, Fe, Co and Ni). Acta Physica Sinica, 2012, 61(2): 026101.doi:10.7498/aps.61.026101 |
[8] |
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 |
[9] |
Cheng Liang, Gan Zhang-Hua, Liu Wei, Zhao Xing-Zhong.First principles calculations of the electronic structure and optical properties of pure and (Nb, N) co-doped anatase. Acta Physica Sinica, 2012, 61(23): 237107.doi:10.7498/aps.61.237107 |
[10] |
Li Chun-Xia, Dang Sui-Hu.Doped with Ag and Zn effects on electronic structure and optical properties of CdS. Acta Physica Sinica, 2012, 61(1): 017202.doi:10.7498/aps.61.017202 |
[11] |
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 |
[12] |
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 |
[13] |
Tang Xin, Zhang Qing-Yu, Lü Hai-Feng, Pu Chun-Ying.First-principles study on the electronic structures and structural stability of Cd-doped ZnO. Acta Physica Sinica, 2011, 60(3): 037101.doi:10.7498/aps.60.037101 |
[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] |
Liu Xiao-Cun, Ji Yan-Ju, Zhao Jun-Qing, Liu Li-Qiang, Sun Zhao-Peng, Dong He-Lei.First-principles study on electronic structure of In-doped wurtzite ZnO. Acta Physica Sinica, 2010, 59(7): 4925-4929.doi:10.7498/aps.59.4925 |
[16] |
Dang Sui-Hu, Li Chun-Xia, Han Pei-De.First-principles calculation of CdS electronic structure doped with Mg and Cu. Acta Physica Sinica, 2009, 58(6): 4137-4143.doi:10.7498/aps.58.4137 |
[17] |
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 |
[18] |
Tang Xin, Lü Hai-Feng, Ma Chun-Yu, Zhao Ji-Jun, Zhang Qing-Yu.First-principle study of electronic structure of Be-doping wurtzite ZnO. Acta Physica Sinica, 2008, 57(12): 7806-7813.doi:10.7498/aps.57.7806 |
[19] |
Zhao Dong-Qiu, Diao Xian-Feng, Wang Gui-Li, Qiu Guo-Li, Huang Xiao-Wei, Li Yun-Cai.First-principle calculation of electronic structure of the wurtzite CdxZn1-xO. Acta Physica Sinica, 2008, 57(12): 7814-7821.doi:10.7498/aps.57.7814 |
[20] |
Du Juan, Ji Zhen-Guo.The effect of Ⅲ-family element doping on electronic structures and electrical characteristics of SnO2. Acta Physica Sinica, 2007, 56(4): 2388-2392.doi:10.7498/aps.56.2388 |