[1] |
Tian Cheng, Lan Jian-Xiong, Wang Cang-Long, Zhai Peng-Fei, Liu Jie.First-principles study of phase transition of BaF2under high pressue. Acta Physica Sinica, 2022, 71(1): 017102.doi:10.7498/aps.71.20211163 |
[2] |
.Phase transition of BaF2 under high pressue studied by a first-principles study. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211163 |
[3] |
Jia Wan-Li, Zhou Miao, Wang Xin-Mei, Ji Wei-Li.First-principles study on the optical properties of Fe-doped GaN. Acta Physica Sinica, 2018, 67(10): 107102.doi:10.7498/aps.67.20172290 |
[4] |
Yan Shun-Tao, Jiang Zhen-Yi.First principles study of the effect of Cu doping on the martensitic transformation of TiNi alloy. Acta Physica Sinica, 2017, 66(13): 130501.doi:10.7498/aps.66.130501 |
[5] |
Shi Yu, Bai Yang, Mo Li-Bin, Xiang Qing-Yun, Huang Ya-Li, Cao Jiang-Li.First-principles calculation for hydrogen-doped hematite. Acta Physica Sinica, 2015, 64(11): 116301.doi:10.7498/aps.64.116301 |
[6] |
Cheng Tai-Min, Zhang Long-Yan, Sun Teng, Zhang Xin-Xin, Zhu Lin, Li Lin.Low energy phonon instabilities and magnetic abnormalities in ordered crystalline state alloys of Fe3Pt at high pressure. Acta Physica Sinica, 2015, 64(14): 146301.doi:10.7498/aps.64.146301 |
[7] |
Li Wan-Jun, Fang Liang, Qin Guo-Ping, Ruan Hai-Bo, Kong Chun-Yang, Zheng Ji, Bian Ping, Xu Qing, Wu Fang.First-principles study of Ag-N dual-doped p-type ZnO. Acta Physica Sinica, 2013, 62(16): 167701.doi:10.7498/aps.62.167701 |
[8] |
Luo Qiang, Tang Bin, Zhang Zhi, Ran Zeng-Ling.First principles calculation of adsorption for H2S on Fe(100) surface. Acta Physica Sinica, 2013, 62(7): 077101.doi:10.7498/aps.62.077101 |
[9] |
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 |
[10] |
Lu Zhi-Peng, Zhu Wen-Jun, Lu Tie-Cheng.Ab initio study of the bcc-to-hcp transition mechanism in Fe under pressure. Acta Physica Sinica, 2013, 62(5): 056401.doi:10.7498/aps.62.056401 |
[11] |
Yao Guang-Rui, Fan Guang-Han, Zheng Shu-Wen, Ma Jia-Hong, Chen Jun, Zhang Yong, Li Shu-Ti, Su Shi-Chen, Zhang Tao.First-principles study of p-type ZnO by Te-N codoping. Acta Physica Sinica, 2012, 61(17): 176105.doi:10.7498/aps.61.176105 |
[12] |
Yu Ben-Hai, Chen Dong.First-principles study on the electronic structure and phase transition of α-, β- and γ-Si3N4. Acta Physica Sinica, 2012, 61(19): 197102.doi:10.7498/aps.61.197102 |
[13] |
Shi Li-Bin, Xiao Zhen-Lin.Origin of ferromagnetic properties in Ni doped ZnO by the first principles study. Acta Physica Sinica, 2011, 60(2): 027502.doi:10.7498/aps.60.027502 |
[14] |
Hu Yu-Ping, Ping Kai-Bin, Yan Zhi-Jie, Yang Wen, Gong Chang-Wei.First-principles calculations of structure and magnetic properties of -Fe(Si)phase precipitated in the Finemet alloy. Acta Physica Sinica, 2011, 60(10): 107504.doi:10.7498/aps.60.107504 |
[15] |
Li Qi, Fan Guang-Han, Xiong Wei-Ping, Zhang Yong.First-principles calculations of ZnO polar surfaces and N adsorption mechanism. Acta Physica Sinica, 2010, 59(6): 4170-4177.doi:10.7498/aps.59.4170 |
[16] |
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 |
[17] |
Lu Zhi-Peng, Zhu Wen-Jun, Lu Tie-Cheng, Liu Shao-Jun, Cui Xin-Lin, Chen Xiang-Rong.The mechanism of structure phase transition from α Fe to ε Fe under uniaxial strain: First-principles calculations. Acta Physica Sinica, 2010, 59(6): 4303-4312.doi:10.7498/aps.59.4303 |
[18] |
Lin Zhu, Guo Zhi-You, Bi Yan-Jun, Dong Yu-Cheng.Ferromagnetism and the optical properties of Cu-doped AlN from first-principles study. Acta Physica Sinica, 2009, 58(3): 1917-1923.doi:10.7498/aps.58.1917 |
[19] |
Chen Kun, Fan Guang-Han, Zhang Yong, Ding Shao-Feng.First principles study of In-N codoped ZnO. Acta Physica Sinica, 2008, 57(5): 3138-3147.doi:10.7498/aps.57.3138 |
[20] |
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 |