[1] |
Wu Hong-Fen, Feng Pan-Jun, Zhang Shuo, Liu Da-Peng, Gao Miao, Yan Xun-Wang.First-principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2022, 71(3): 036801.doi:10.7498/aps.71.20211631 |
[2] |
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 |
[3] |
Li Fa-Yun, Yang Zhi-Xiong, Cheng Xue, Zeng Li-Ying, Ouyang Fang-Ping.First-principles study of electronic structure and optical properties of monolayer defective tellurene. Acta Physica Sinica, 2021, 70(16): 166301.doi:10.7498/aps.70.20210271 |
[4] |
.First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211631 |
[5] |
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 |
[6] |
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 |
[7] |
Wang Dan, Zou Juan, Tang Li-Ming.Stability and electronic structure of hydrogenated two-dimensional transition metal dichalcogenides: First-principles study. Acta Physica Sinica, 2019, 68(3): 037102.doi:10.7498/aps.68.20181597 |
[8] |
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 |
[9] |
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 |
[10] |
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 |
[11] |
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 |
[12] |
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 |
[13] |
Liang Wei-Hua, Ding Xue-Cheng, Chu Li-Zhi, Deng Ze-Chao, Guo Jian-Xin, Wu Zhuan-Hua, Wang Ying-Long.First-principles study of electronic and optical properties of Ni-doped silicon nanowires. Acta Physica Sinica, 2010, 59(11): 8071-8077.doi:10.7498/aps.59.8071 |
[14] |
Liu Jun-Min, Sun Li-Zhong, Chen Yuan-Ping, Zhang Kai-Wang, Yuan Hui-Qiu, Zhong Jian-Xin.Electronic structure and bonding mechanism of La-Ir-Si: A first-principles study. Acta Physica Sinica, 2009, 58(11): 7826-7832.doi:10.7498/aps.58.7826 |
[15] |
Wang Yan, Shen Bo, Dierre Benjamin, Sekiguchi Takashi, Xu Fu-Jun.Effect of hydrogenation on the luminescence evolution of GaN under low energy electron beam irradiation. Acta Physica Sinica, 2009, 58(11): 7864-7868.doi:10.7498/aps.58.7864 |
[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] |
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 |
[19] |
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 |
[20] |
Liu Hui-Ying, Hou Zhu-Feng, Zhu Zi-Zhong, Huang Mei-Chun, Yang Yong.First-principles calculation on the formation energies oflithium insertion in In Sb. Acta Physica Sinica, 2003, 52(7): 1732-1736.doi:10.7498/aps.52.1732 |