| [1] |
Peng Shu-Ping, Huang Xu-Dong, Liu Qian, Ren Peng, Wu Dan, Fan Zhi-Qiang. First-principles study of single-molecule-structure determination of dithienoborepin isomers. Acta Physica Sinica,
2023, 72(5): 058501.
doi: 10.7498/aps.72.20221973
|
| [2] |
He Yan-Bin, Jia Jian-Feng, Wu Hai-Shun. First-principles study of stability and electronic structure of N2H4 adsorption on NiFe(111) alloy surface. Acta Physica Sinica,
2015, 64(20): 203101.
doi: 10.7498/aps.64.203101
|
| [3] |
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
|
| [4] |
Wu Hai-Ping, Chen Dong-Guo, Huang De-Cai, Deng Kai-Ming. Electronic and magnetic properties of SrCoO3:the first principles study. Acta Physica Sinica,
2012, 61(3): 037101.
doi: 10.7498/aps.61.037101
|
| [5] |
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
|
| [6] |
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
|
| [7] |
Li Kai, Tang Yong-Jian, Luo Jiang-Shan, Yi Yong, Ding Zhi-Jie. First-principles calculations of electronic structure and magnetism of Ni4NdB. Acta Physica Sinica,
2011, 60(9): 097503.
doi: 10.7498/aps.60.097503
|
| [8] |
Ma Guo-Jia, Zhu Jia-Qi, Gong Shui-Li, Gao Wei. First principles studies of nitrogen doped tetrahedral amorphous carbon. Acta Physica Sinica,
2011, 60(2): 027104.
doi: 10.7498/aps.60.027104
|
| [9] |
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
|
| [10] |
Ji Zheng-Hua, Zeng Xiang-Hua, Cen Jie-Ping, Tan Ming-Qiu. Electronic structure and phase transformation in ZnSe: An ab initio study. Acta Physica Sinica,
2010, 59(2): 1219-1224.
doi: 10.7498/aps.59.1219
|
| [11] |
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
|
| [12] |
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
|
| [13] |
Liu Qiang, Cheng Xin-Lu, Fan Yong-Heng, Yang Xiang-Dong. First-principles calculation of p-Zn1-xMgxO electronic structure by doping with Al and N. Acta Physica Sinica,
2009, 58(4): 2684-2691.
doi: 10.7498/aps.58.2684
|
| [14] |
Yang Chong, Yang Chun. First-principles study of atomic and electronic structures of the silicon oxide clusters on Si(001) surfaces. Acta Physica Sinica,
2009, 58(8): 5362-5369.
doi: 10.7498/aps.58.5362
|
| [15] |
Zhu Guo-Liang, Shu Da, Dai Yong-Bing, Wang Jun, Sun Bao-De. First principles study on substitution behaviour of Si in TiAl3. Acta Physica Sinica,
2009, 58(13): 210-S215.
doi: 10.7498/aps.58.210
|
| [16] |
Tang Xin, Lü Hai-Feng, Ma Chun-Yu, Zhao Ji-Jun, Zhang Qing-Yu. First-principles study of electronic structure for Cd-doped wurtzite ZnO. Acta Physica Sinica,
2008, 57(2): 1066-1072.
doi: 10.7498/aps.57.1066
|
| [17] |
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
|
| [18] |
Gao Wei, Zhu Jia-Qi, Niu Li, Han Jie-Cai, Dai Bao-Chang. Ab initio structural simulation and electronic structure of amorphous carbon. Acta Physica Sinica,
2008, 57(1): 398-404.
doi: 10.7498/aps.57.398
|
| [19] |
Zhu Ying-Tao, Yang Chuan-Lu, Wang Mei-Shan, Dong Yong-Mian. First-principles calculations on the electrical structures and vibration frequencies of β-Si3N4. Acta Physica Sinica,
2008, 57(2): 1048-1053.
doi: 10.7498/aps.57.1048
|
| [20] |
Zhang Yong, Tang Chao-Qun, Dai Jun. Ab inition studies on the electric and optical properties of Rb2TeW3O12. Acta Physica Sinica,
2005, 54(2): 868-874.
doi: 10.7498/aps.54.868
|
下载:
