[1] |
Cao Sheng-Guo, Han Jia-Ning, Li Zhan-Hai, Zhang Zhen-Hua.Structural stability, electronic properties, and physical modulation effects of armchair-edged C3B nanoribbons. Acta Physica Sinica, 2023, 72(11): 117101.doi:10.7498/aps.72.20222434 |
[2] |
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 |
[3] |
Liu Na, Wei Yang, Ma Xin-Guo, Zhu Lin, Xu Guo-Wang, Chu Liang, Huang Chu-Yun.Theoretical study on the stability and photoelectric properties of APbI3 perovskite. Acta Physica Sinica, 2017, 66(5): 057103.doi:10.7498/aps.66.057103 |
[4] |
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 |
[5] |
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 |
[6] |
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 |
[7] |
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 |
[8] |
Liu Chun-Hua, Ouyang Chu-Ying, Ji Ying-Hua.First principles investigation of electronic structuresand stabilities of Mg2Ni and its complex hydrides. Acta Physica Sinica, 2011, 60(7): 077103.doi:10.7498/aps.60.077103 |
[9] |
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 |
[10] |
Sun Jian-Min, Zhao Gao-Feng, Wang Xian-Wei, Yang Wen, Liu Yan, Wang Yuan-Xu.Study of structural and electronic properties of Cu-adsorbed (SiO2)n(n=1—8) clusters with the DFT. Acta Physica Sinica, 2010, 59(11): 7830-7837.doi:10.7498/aps.59.7830 |
[11] |
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 |
[12] |
Wang Zhi-Gang, Zhang Yang, Wen Yu-Hua, Zhu Zi-Zhong.First-principles calculation of structural stability and electronic properties of ZnO atomic chains. Acta Physica Sinica, 2010, 59(3): 2051-2056.doi:10.7498/aps.59.2051 |
[13] |
Wang Yi-Jun, Wang Liu-Ding, Yang Min, Liu Guang-Qing, Yan Cheng.Structural stability and field emission properties of carbon nanotubes doped by a boron atom and adsorbed with several H2O molecules. Acta Physica Sinica, 2010, 59(7): 4950-4954.doi:10.7498/aps.59.4950 |
[14] |
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 |
[15] |
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 |
[16] |
Li Xi-Bo, Luo Jiang-Shan, Guo Yun-Dong, Wu Wei-Dong, Wang Hong-Yan, Tang Yong-Jian.Density functional theory study of the stability, electronic and magnetic properties of Scn, Yn and Lan (n=2—10) clusters. Acta Physica Sinica, 2008, 57(8): 4857-4865.doi:10.7498/aps.57.4857 |
[17] |
Wang Xiao-Chun, Lin Qiu-Bao, Li Ren-Quan, Zhu Zi-Zhong.Structural stability and electronic properties of ordered identical Nb4 clusters on the Cu(100) surface. Acta Physica Sinica, 2007, 56(5): 2813-2820.doi:10.7498/aps.56.2813 |
[18] |
Xia Ming-Xia, Yan Ning, Li Hong-Xing, Ning Nai-Dong, Lin Xi-Wei, Xie Zhong.Study of structure stability and decoration of carbon nanotube under applied electric field. Acta Physica Sinica, 2007, 56(1): 113-116.doi:10.7498/aps.56.113 |
[19] |
Shen Han-Xin, Cai Na-Li, Wen Yu-Hua, Zhu Zi-Zhong.Structural stability and electronic structures of Nb atomic chains. Acta Physica Sinica, 2005, 54(11): 5362-5366.doi:10.7498/aps.54.5362 |
[20] |
Tan Ming-Qiu, Tao Xiang-Ming, Xu Xiao-Jun, Cai Jian-Qiu.Density functional theory study on the electronic structure of UAl3 a nd USn3. Acta Physica Sinica, 2003, 52(12): 3142-3149.doi:10.7498/aps.52.3142 |