[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] |
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 |
[3] |
Liu Qi, Guan Peng-Fei.First principle study on atomic structure of La65X35(X=Ni, Al) metallic glasses. Acta Physica Sinica, 2018, 67(17): 178101.doi:10.7498/aps.67.20180992 |
[4] |
Chi Bao-Qian, Liu Yi, Xu Jing-Cheng, Qin Xu-Ming, Sun Chen, Bai Cheng-Hao, Liu Yi-Fan, Zhao Xin-Luo, Li Xiao-Wu.Density functional theory study of structure stability and electronic structures of graphyne derivatives. Acta Physica Sinica, 2016, 65(13): 133101.doi:10.7498/aps.65.133101 |
[5] |
Zou Xiao-Cui, Wu Mu-Sheng, Liu Gang, Ouyang Chu-Ying, Xu Bo.First-principles study on the electronic structures of β-SiC/carbon nanotube core-shell structures. Acta Physica Sinica, 2013, 62(10): 107101.doi:10.7498/aps.62.107101 |
[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] |
Song Jiu-Xu, Yang Yin-Tang, Guo Li-Xin, Wang Ping, Zhang Zhi-Yong.Investigation on influence of antisite defects on electronic structure and optical properties of silicon carbide nanotube. Acta Physica Sinica, 2012, 61(23): 237301.doi:10.7498/aps.61.237301 |
[8] |
Lu Shuo, Zhang Yue, Shang Jia-Xiang.First principles study on structure and property of Si2 CN4(010) surface. Acta Physica Sinica, 2011, 60(2): 027302.doi:10.7498/aps.60.027302 |
[9] |
Guo Gu-Qing, Yang Liang, Zhang Guo-Qing.Atomic structure of Zr48Cu45Al7 bulk metallic glass. Acta Physica Sinica, 2011, 60(1): 016103.doi:10.7498/aps.60.016103 |
[10] |
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 |
[11] |
Cao Qing-Song, Deng Kai-Ming, Chen Xuan, Tang Chun-Mei, Huang De-Cai.Density functional study on the geometric and electronic properties of MC20F20 (M=Li, Na, Be, Mg). Acta Physica Sinica, 2009, 58(3): 1863-1869.doi:10.7498/aps.58.1863 |
[12] |
Song Jiu-Xu, Yang Yin-Tang, Liu Hong-Xia, Zhang Zhi-Yong.First-principles study of the electonic structure of nitrogen-doped silicon carbide nanotubes. Acta Physica Sinica, 2009, 58(7): 4883-4887.doi:10.7498/aps.58.4883 |
[13] |
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 |
[14] |
Chang Zhi-Wen, Wang Qing-Lin, Luo You-Hua.Effects of spin multiplicity on atomic structure of titanium trimer. Acta Physica Sinica, 2006, 55(9): 4553-4556.doi:10.7498/aps.55.4553 |
[15] |
Jiang Min-Hao, Meng Xu-Jun.A Hartree-Fock-Slater-Boltzmann-Saha method for detailed atomic structure and equation of state of plasmas. Acta Physica Sinica, 2005, 54(2): 587-593.doi:10.7498/aps.54.587 |
[16] |
Li Yong-Hua, Xu Peng-Shou, Pan Hai-Bin, Xu Fa-Qiang, Xie Chang-Kun.First-principle study on GaN(1010) surface structure. Acta Physica Sinica, 2005, 54(1): 317-322.doi:10.7498/aps.54.317 |
[17] |
Xu Peng-Shou, Li Yong-Hua, Pan Hai-Bin.First principle study on β-SiC(001)-(2×1) surface structure. Acta Physica Sinica, 2005, 54(12): 5824-5829.doi:10.7498/aps.54.5824 |
[18] |
Xie Chang-Kun, Xu Peng-Shou, Xu Fa-Qiang, Pan Hai-Bin.First principlesstudyonα SiC (1 0 1 0 )surfacestructure. Acta Physica Sinica, 2002, 51(12): 2804-2811.doi:10.7498/aps.51.2804 |
[19] |
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 |
[20] |
MENG XU-JUN, ZONG XIAO-PING, BAI YUN, SUN YONG-SHENG, ZHANG JING-LIN.SELF-CONSISTENT CALCULATION OF ATOMIC STRUCTURE FOR MIXTURE. Acta Physica Sinica, 2000, 49(11): 2133-2138.doi:10.7498/aps.49.2133 |