| [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] |
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
|
| [4] |
Li Shi-Xiong, Wu Yong-Gang, Linghu Rong-Feng, Sun Guang-Yu, Zhang Zheng-Ping, Qin Shui-Jie. Ground state properties and excitation properties of ZnSe under different external electric fields. Acta Physica Sinica,
2015, 64(4): 043101.
doi: 10.7498/aps.64.043101
|
| [5] |
Wang Yue, Zhang Feng-Xia, Wang Chun-Jie, Gao Chun-Xiao. DC and AC electrical properties of ZnSe under high pressure. Acta Physica Sinica,
2014, 63(21): 216401.
doi: 10.7498/aps.63.216401
|
| [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] |
Zhou Ping, Wang Xin-Qiang, Zhou Mu, Xia Chuan-Hui, Shi Ling-Na, Hu Cheng-Hua. First-principles study of pressure induced phase transition, electronic structure and elastic properties of CdS. Acta Physica Sinica,
2013, 62(8): 087104.
doi: 10.7498/aps.62.087104
|
| [8] |
Li Jian-Hua, Cui Yuan-Shun, Zeng Xiang-Hua, Chen Gui-Bin. Investigations of structural phase transition, electronic structures and optical properties in ZnS. Acta Physica Sinica,
2013, 62(7): 077102.
doi: 10.7498/aps.62.077102
|
| [9] |
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
|
| [10] |
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
|
| [11] |
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
|
| [12] |
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
|
| [13] |
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
|
| [14] |
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
|
| [15] |
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
|
| [16] |
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
|
| [17] |
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
|
| [18] |
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
|
| [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] |
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
|
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