| [1] |
Peng Shu-Ping, Huang Xu-Dong, Liu Qian, Ren Peng, Wu Dan, Fan Zhi-Qiang.First-principles study of single-molecule-structure determination of dithienoborepin isomers. Acta Physica Sinica, 2023, 72(5): 058501.doi:10.7498/aps.72.20221973 |
| [2] |
Zhou Jia-Jian, Zhang Yu-Wen, He Chao-Yu, Ouyang Tao, Li Jin, Tang Chao.First-principles study of structure prediction and electronic properties of two-dimensional SiP2allotropes. Acta Physica Sinica, 2022, 71(23): 236101.doi:10.7498/aps.71.20220853 |
| [3] |
Gong Ling-Yun, Zhang Ping, Chen qian, Lou Zhi-Hao, Xu Jie, Gao Feng.First principles study of structure and property of Nb5+-doped SrTiO3. Acta Physica Sinica, 2021, 70(22): 227101.doi:10.7498/aps.70.20211241 |
| [4] |
Fu Xian-Kai, Chen Wan-Qi, Jiang Zhong-Sheng, Yang Bo, Zhao Xiang, Zuo Liang.First-principles investigation on elastic, electronic, and optical properties of Ti3O5. Acta Physica Sinica, 2019, 68(20): 207301.doi:10.7498/aps.68.20190664 |
| [5] |
Zhu Li-Feng, Pan Wen-Yuan, Xie Yan, Zhang Bo-Ping, Yin Yang, Zhao Gao-Lei.Effect of regulation of defect ion on ferroelectric photovoltaic characteristics of BiFeO3-BaTiO3based perovskite materials. Acta Physica Sinica, 2019, 68(21): 217701.doi:10.7498/aps.68.20190996 |
| [6] |
Liu Fei, Wen Zhi-Peng.First principle study of occupancy, bonding characteristics and alloying effect of Zr, Nb, V in bulkα-Fe(C). Acta Physica Sinica, 2019, 68(13): 137101.doi:10.7498/aps.68.20182282 |
| [7] |
Hu Jie-Qiong, Xie Ming, Chen Jia-Lin, Liu Man-Men, Chen Yong-Tai, Wang Song, Wang Sai-Bei, Li Ai-Kun.First principles study of electronic and elastic properties of Ti3AC2 (A = Si, Sn, Al, Ge) phases. Acta Physica Sinica, 2017, 66(5): 057102.doi:10.7498/aps.66.057102 |
| [8] |
Liu Bo, Wang Xuan-Jun, Bu Xiao-Yu.First principles investigations of structural, electronic and elastic properties of ammonium perchlorate under high pressures. Acta Physica Sinica, 2016, 65(12): 126102.doi:10.7498/aps.65.126102 |
| [9] |
Fan Kai-Min, Yang Li, Sun Qing-Qiang, Dai Yun-Ya, Peng Shu-Ming, Long Xing-Gui, Zhou Xiao-Song, Zu Xiao-Tao.First-principles study on elastic properties of hexagonal phase ErAx (A=H, He). Acta Physica Sinica, 2013, 62(11): 116201.doi:10.7498/aps.62.116201 |
| [10] |
Zhou Ping, Wang Xin-Qiang, Zhou Mu, Xia Chuan-Hui, Shi Ling-Na, Hu Cheng-Hua.First-principles study of pressure induced phase transition, electronic structure and elastic properties of CdS. Acta Physica Sinica, 2013, 62(8): 087104.doi:10.7498/aps.62.087104 |
| [11] |
Liang Pei, Liu Yang, Wang Le, Wu Ke, Dong Qian-Min, Li Xiao-Yan.Investigation of the doping failure induced by DB in the SiNWs using first principles method. Acta Physica Sinica, 2012, 61(15): 153102.doi:10.7498/aps.61.153102 |
| [12] |
Yang Ze-Jin, Linghu Rong-Feng, Cheng Xin-Lu, Yang Xiang-Dong.First-principles investigations on the electronic, elastic and thermodynamic properties of Cr2MC(M=Al, Ga). Acta Physica Sinica, 2012, 61(4): 046301.doi:10.7498/aps.61.046301 |
| [13] |
Fan Kai-Min, Yang Li, Peng Shu-Ming, Long Xing-Gui, Wu Zhong-Cheng, Zu Xiao-Tao.First-principles calculation for elastic constantsof α-ScDx(D=H, He). Acta Physica Sinica, 2011, 60(7): 076201.doi:10.7498/aps.60.076201 |
| [14] |
Yu Ben-Hai, Liu Mo-Lin, Chen Dong.First principles study of structural, electronic and elastic properties of Mg2 Si polymorphs. Acta Physica Sinica, 2011, 60(8): 087105.doi:10.7498/aps.60.087105 |
| [15] |
Li Shi-Na, Liu Yong.First-principles calculation of elastic and thermodynamic properties of copper nitride. Acta Physica Sinica, 2010, 59(10): 6882-6888.doi:10.7498/aps.59.6882 |
| [16] |
Li Xiao-Feng, Ji Guang-Fu, Peng Wei-Min, Shen Xiao-Meng, Zhao Feng.Elastic constants, electronic structure and optical properties of solid krypton under pressure by first-principles calculations. Acta Physica Sinica, 2009, 58(4): 2660-2666.doi:10.7498/aps.58.2660 |
| [17] |
Wang Na, Tang Bi-Yu.Structural，elastic and electronic properties of L12 aluminum phases from first principles calculation. Acta Physica Sinica, 2009, 58(13): 230-S234.doi:10.7498/aps.58.230 |
| [18] |
Peng Li-Ping, Xu Ling, Yin Jian-Wu.First-principles study the optical properties of anatase TiO2 by N-doping. Acta Physica Sinica, 2007, 56(3): 1585-1589.doi:10.7498/aps.56.1585 |
| [19] |
Pan Zhi-Jun, Zhang Lan-Ting, Wu Jian-Sheng.First-principles study of electronic structure for CoSi. Acta Physica Sinica, 2005, 54(1): 328-332.doi:10.7498/aps.54.328 |
| [20] |
Duan Ping, Tan Guo-Tai, Dai Shou-Yu, Chen Zheng-Hao, Zhou Yue-Liang, Lü Hui-Bin.Colossal magnetoresistance effect in the perovskite-type La0.9Sb 0.1MnO3 material. Acta Physica Sinica, 2003, 52(8): 2061-2065.doi:10.7498/aps.52.2061 |
下载: