[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] |
Fan Da-Zhi, Liu Gui-Li, Wei Lin.Electron-theoretical study on the influences of torsional deformation on electrical and optical properties of O atom absorbed graphene. Acta Physica Sinica, 2017, 66(24): 246301.doi:10.7498/aps.66.246301 |
[3] |
Wang Ya-Jing, Li Gui-Xia, Wang Zhi-Hua, Gong Li-Ji, Wang Xiu-Fang.Diameter monodispersity of imogolite-like nanotube: a density functional theory study. Acta Physica Sinica, 2016, 65(4): 048101.doi:10.7498/aps.65.048101 |
[4] |
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 |
[5] |
Li Jun, Zhang Zhen-Hua, Wang Chen-Zhi, Deng Xiao-Qing, Fan Zhi-Qiang.Rolling effects on electronic characteristics for graphene nanoribbons. Acta Physica Sinica, 2013, 62(5): 056103.doi:10.7498/aps.62.056103 |
[6] |
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 |
[7] |
Chen Dong, Xiao He-Yang, Jia Wei, Chen Hong, Zhou He-Gen, Li Yi, Ding Kai-Ning, Zhang Yong-Fan.Electronic structures and optical properties of AAl2C4 (A=Zn, Cd, Hg; C=S, Se) semiconductors. Acta Physica Sinica, 2012, 61(12): 127103.doi:10.7498/aps.61.127103 |
[8] |
Fan Bing-Bing, Wang Li-Na, Wen He-Jing, Guan Li, Wang Hai-Long, Zhang Rui.Study on the structure of water chain encapsulated in carbon nanotube by density functional theory. Acta Physica Sinica, 2011, 60(1): 012101.doi:10.7498/aps.60.012101 |
[9] |
Lin Qi, Chen Yu-Hang, Wu Jian-Bao, Kong Zong-Min.Effect of N-doping on band structure and transport property of zigzag graphene nanoribbons. Acta Physica Sinica, 2011, 60(9): 097103.doi:10.7498/aps.60.097103 |
[10] |
Tao Qiang, Hu Xiao-Ying, Zhu Pin-Wen.Electronic structure of zigzag graphene nanoribbin terminated by hydroxyl. Acta Physica Sinica, 2011, 60(9): 097301.doi:10.7498/aps.60.097301 |
[11] |
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 |
[12] |
Gao Hong, Zhu Wei-Hua, Tang Chun-Mei, Geng Fang-Fang, Yao Chang-Da, Xu Yun-Ling, Deng Kai-Ming.Density functional calculation on the geometric structure and electronic properties of the endohedral fullerene N2@C60. Acta Physica Sinica, 2010, 59(3): 1707-1711.doi:10.7498/aps.59.1707 |
[13] |
Yang Pei-Fang, Hu Juan-Mei, Teng Bo-Tao, Wu Feng-Min, Jiang Shi-Yu.Density functional theory study of rhodium adsorption on single-wall carbon nanotubes. Acta Physica Sinica, 2009, 58(5): 3331-3337.doi:10.7498/aps.58.3331 |
[14] |
Tang Chun-Mei, Zhu Wei-Hua, Deng Kai-Ming.Density functional calculations on the structure, bonding and magnetic properties of the transition metal atom doped endohedral fullerene Ni@C20H20. Acta Physica Sinica, 2009, 58(7): 4567-4572.doi:10.7498/aps.58.4567 |
[15] |
Hu Hai-Xin, Zhang Zhen-Hua, Liu Xin-Hai, Qiu Ming, Ding Kai-He.Tight binding studies on the electronic structure of graphene nanoribbons. Acta Physica Sinica, 2009, 58(10): 7156-7161.doi:10.7498/aps.58.7156 |
[16] |
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 |
[17] |
Ji Zheng-Hua, Zeng Xiang-Hua, Hu Yong-Jin, Tan Ming-Qiu.Electronic structure and optical properties of ZnSe under high pressure. Acta Physica Sinica, 2008, 57(6): 3753-3759.doi:10.7498/aps.57.3753 |
[18] |
Guan Li, Liu Bao-Ting, Li Xu, Zhao Qing-Xun, Wang Ying-Long, Guo Jian-Xin, Wang Shu-Biao.Electronic structure and optical properties of fluorite-structure TiO2. Acta Physica Sinica, 2008, 57(1): 482-487.doi:10.7498/aps.57.482 |
[19] |
Hu Yong-Jin, Cui Lei, Zhao Jiang, Teng Yu-Yong, Zeng Xiang-Hua, Tan Ming-Qiu.Electronic structure and property of ZnS under high pressure. Acta Physica Sinica, 2007, 56(7): 4079-4084.doi:10.7498/aps.56.4079 |
[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 |