[1] |
Xu Xian-Da, Zhao Lei, Sun Wei-Feng.First-principles on the energy band mechanism for modifying conduction property of graphene nanomeshes. Acta Physica Sinica, 2020, 69(4): 047101.doi:10.7498/aps.69.20190657 |
[2] |
Li Lin, Sun Yu-Xuan, Sun Wei-Feng.First-principles study of electronic structure, magnetic and optical properties of laminated molybdenum oxides. Acta Physica Sinica, 2019, 68(5): 057101.doi:10.7498/aps.68.20181962 |
[3] |
Chi Ming-He, Zhao Lei.First-principles study of magnetic order in graphene nanoflakes as spin logic devices. Acta Physica Sinica, 2018, 67(21): 217101.doi:10.7498/aps.67.20181297 |
[4] |
Zhang Yun, Wang Xue-Wei, Bai Hong-Mei.First-principles study on the electronic structures and the absorption spectra of In: Mn: LiNbO3 crystals. Acta Physica Sinica, 2017, 66(2): 024208.doi:10.7498/aps.66.024208 |
[5] |
Liu Hui-Ying, Zhang Xiu-Qin, Fang Yi-Mei, Zhu Zi-Zhong.Structural and electronic properties of T-graphene and its derivatives. Acta Physica Sinica, 2017, 66(16): 166101.doi:10.7498/aps.66.166101 |
[6] |
Wu Ruo-Xi, Liu Dai-Jun, Yu Yang, Yang Tao.First-principles investigations on structure and thermodynamic properties of CaS under high pressures. Acta Physica Sinica, 2016, 65(2): 027101.doi:10.7498/aps.65.027101 |
[7] |
Gao Tan-Hua.Structural and electronic properties of hydrogenated bilayer silicene. Acta Physica Sinica, 2015, 64(7): 076801.doi:10.7498/aps.64.076801 |
[8] |
Wang Jin-Rong, Zhu Jun, Hao Yan-Jun, Ji Guang-Fu, Xiang Gang, Zou Yang-Chun.First-principles study of the structural, elastic and electronic properties of RhB under high pressure. Acta Physica Sinica, 2014, 63(18): 186401.doi:10.7498/aps.63.186401 |
[9] |
Gao Tan-Hua, Wu Shun-Qing, Zhang Peng, Zhu Zi-Zhong.Structural and electronic properties of hydrogenated bilayer boron nitride. Acta Physica Sinica, 2014, 63(1): 016801.doi:10.7498/aps.63.016801 |
[10] |
Zhang Yang, Huang Yan, Chen Xiao-Shuang, Lu Wei.The study of oxygen and sulfur adsorption on the InSb (110) surface, using first-principle energy calculations. Acta Physica Sinica, 2013, 62(20): 206102.doi:10.7498/aps.62.206102 |
[11] |
Wang Ru-Zhi, Xu Li-Chun, Yan Hui, Kohyama Masanori.First-principles predictions for the tensile strength of Al metal with dislocations of twist grain boundaries. Acta Physica Sinica, 2012, 61(2): 026801.doi:10.7498/aps.61.026801 |
[12] |
Li Rong, Luo Xiao-Ling, Liang Guo-Ming, Fu Wen-Sheng.Influence of doped rare earth elements on the dehydrogenation properties of VH2. Acta Physica Sinica, 2012, 61(9): 093601.doi:10.7498/aps.61.093601 |
[13] |
Gao Tan-Hua, Liu Hui-Ying, Zhang Peng, Wu Shun-Qing, Yang Yong, Zhu Zi-Zhong.Structural and electronic properties of Al-doped spinel LiMn2O4. Acta Physica Sinica, 2012, 61(18): 187306.doi:10.7498/aps.61.187306 |
[14] |
Liu Jian-Jun.First-principles calculation of electronic structure of (Zn,Al)O and analysis of its conductivity. Acta Physica Sinica, 2011, 60(3): 037102.doi:10.7498/aps.60.037102 |
[15] |
Ji Zheng-Hua, Zeng Xiang-Hua, Cen Jie-Ping, Tan Ming-Qiu.Electronic structure and phase transformation in ZnSe: An ab initio study. Acta Physica Sinica, 2010, 59(2): 1219-1224.doi:10.7498/aps.59.1219 |
[16] |
Zhou Long, Li Han, Su Xian-Li, Tang Xin-Feng.Effects of In doping on crystal structure and thermoelectric properties of n-type skutterudites. Acta Physica Sinica, 2010, 59(10): 7219-7224.doi:10.7498/aps.59.7219 |
[17] |
Wang Song-You, Duan Guo-Yu, Qiu Jian-Hong, Jia Yu, Chen Liang-Yao.PtN in zinc-blende structure: An unstable metallic transition-metal nitride compound. Acta Physica Sinica, 2006, 55(4): 1979-1982.doi:10.7498/aps.55.1979 |
[18] |
Meng Xing, Xu Xiao-Guang, Liu Wei, Sun Yuan, Chen Gang.First-principles investigation of charge disproportionation in HoNiO_3 perovskite. Acta Physica Sinica, 2004, 53(11): 3873-3876.doi:10.7498/aps.53.3873 |
[19] |
Liu Hui-Ying, Hou Zhu-Feng, Zhu Zi-Zhong, Huang Mei-Chun, Yang Yong.Ab initiocalculation of the voltage profile curve of Li insertions in InSb. Acta Physica Sinica, 2004, 53(11): 3868-3872.doi:10.7498/aps.53.3868 |
[20] |
Chen Li-Juan, Hou Zhu-Feng, Zhu Zi-Zhong, Yang Yong.First-principles calculation of the vacancy formation energies in LiAl. Acta Physica Sinica, 2003, 52(9): 2229-2234.doi:10.7498/aps.52.2229 |