[1] |
Cui Yang, Li Jing, Zhang Lin.Electronic structure of graphene nanoribbons under external electric field by density functional tight binding. Acta Physica Sinica, 2021, 70(5): 053101.doi:10.7498/aps.70.20201619 |
[2] |
Li Ya-Sha, Sun Lin-Xiang, Zhou Xiao, Chen Kai, Wang Hui-Yao.Structure and excitation characteristics of C5F10O under external electric field based on density functional theory. Acta Physica Sinica, 2020, 69(1): 013101.doi:10.7498/aps.69.20191455 |
[3] |
Li Ya-Sha, Xie Yun-Long, Huang Tai-Huan, Xu Cheng, Liu Guo-Cheng.Molecular structure and properties of salt cross-linked polyethylene under external electric field based on density functional theory. Acta Physica Sinica, 2018, 67(18): 183101.doi:10.7498/aps.67.20180808 |
[4] |
Jiang Yuan-Qi, Peng Ping.Electronic structures of stable Cu-centered Cu-Zr icosahedral clusters studied by density functional theory. Acta Physica Sinica, 2018, 67(13): 132101.doi:10.7498/aps.67.20180296 |
[5] |
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 |
[6] |
Song Jian, Li Feng, Deng Kai-Ming, Xiao Chuan-Yun, Kan Er-Jun, Lu Rui-Feng, Wu Hai-Ping.Density functional study on the stability and electronic structure of single layer Si6H4Ph2. Acta Physica Sinica, 2012, 61(24): 246801.doi:10.7498/aps.61.246801 |
[7] |
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 |
[8] |
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 |
[9] |
Ge Gui-Xian, Yan Hong-Xia, Jing Qun, Zhang Jian-Jun.Density functional theory study on the structure and electronicproperties of Aun Sc3 (n =1—7) clusters. Acta Physica Sinica, 2011, 60(3): 033101.doi:10.7498/aps.60.033101 |
[10] |
Ge Gui-Xian, Jing Qun, Cao Hai-Bin, Yang Zeng-Qiang, Tang Guang-Hui, Yan Hong-Xia.The study on structures and properties of Run and Run Au(n=112) clusters by density functional theory. Acta Physica Sinica, 2011, 60(10): 103102.doi:10.7498/aps.60.103102 |
[11] |
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 |
[12] |
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 |
[13] |
Tang Chun-Mei, Chen Xuan, Deng Kai-Ming, Hu Feng-Lan, Huang De-Cai, Xia Hai-Yan.The evolution of the structure and electronic properties of the fullerene derivatives C60(CF3)n(n=2, 4, 6, 10): A density functional calculation. Acta Physica Sinica, 2009, 58(4): 2675-2679.doi:10.7498/aps.58.2675 |
[14] |
Yang Jian, Wang Ni-Ying, Zhu Dong-Jiu, Chen Xuan, Deng Kai-Ming, Xiao Chuan-Yun.Density functional calculation of the geometric and magnetic properties of MPb10(M=Ti,V,Cr,Cu,Pd) clusters. Acta Physica Sinica, 2009, 58(5): 3112-3117.doi:10.7498/aps.58.3112 |
[15] |
Ge Gui-Xian, Luo You-Hua.Density functional theory study of the structure and electronic properties of MgnOn(n=2—8) clusters. Acta Physica Sinica, 2008, 57(8): 4851-4856.doi:10.7498/aps.57.4851 |
[16] |
Jiang Yan-Ling, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Tan Wei-Shi, Huang De-Cai, Liu Yu-Zhen, Wu Hai-Ping.Density functional study on the structural and electronic properties of fullerene-barbituric acid and its dimmer. Acta Physica Sinica, 2008, 57(6): 3690-3697.doi:10.7498/aps.57.3690 |
[17] |
Bai Yu-Jie, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Chen Xuan, Tan Wei-Shi, Liu Yu-Zhen, Huang De-Cai.Density functional calculations on the geometric and electronic structures of the endohedral fullerene H2@C60 and its dimmer. Acta Physica Sinica, 2008, 57(6): 3684-3689.doi:10.7498/aps.57.3684 |
[18] |
Tang Chun-Mei, Yuan Yong-Bo, Deng Kai-Ming, Yang Jin-Long.Structural and electronic properties of C72 and La2@C72. Acta Physica Sinica, 2006, 55(7): 3601-3605.doi:10.7498/aps.55.3601 |
[19] |
Chen Bo, Xia Qing-Zhong, Lebedev V. T..Experimental study of fullerene-PVP polymers by small-angle neutron scattering. Acta Physica Sinica, 2005, 54(6): 2821-2825.doi:10.7498/aps.54.2821 |
[20] |
TONG HONG-YONG, GU MU, TANG XUE-FENG, LIANG LING, YAO MING-ZHEN.ELECTRONIC STRUCTURES OF PbWO4 CRYSTAL CALCULATED IN TERMS OF DENSITY FUNCTIONAL THEORY. Acta Physica Sinica, 2000, 49(8): 1545-1549.doi:10.7498/aps.49.1545 |