[1] |
Yang Shun-Jie, Li Chun-Mei, Zhou Jin-Ping.First-principles study of magnetic disordering and alloying effects on phase stability and elastic constants of Co2CrZ(Z= Ga, Si, Ge) alloys. Acta Physica Sinica, 2022, 71(10): 106201.doi:10.7498/aps.71.20212254 |
[2] |
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 |
[3] |
.Phase transition of BaF2 under high pressue studied by a first-principles study. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211163 |
[4] |
Shao Dong-Yuan, Hui Qun, Li Xiao, Chen Jing-Jing, Li Chun-Mei, Cheng Nan-Pu.First-principles study on the elastic and thermal properties of Ca0.5Sr0.5TiO3. Acta Physica Sinica, 2015, 64(20): 207102.doi:10.7498/aps.64.207102 |
[5] |
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 |
[6] |
Lu Zhi-Peng, Zhu Wen-Jun, Lu Tie-Cheng, Meng Chuan-Min, Xu Liang, Li Xu-Hai.Structural phase transition of Ru at high pressure and temperature. Acta Physica Sinica, 2013, 62(17): 176402.doi:10.7498/aps.62.176402 |
[7] |
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 |
[8] |
Zhao Rong-Da, Zhu Jing-Chuan, Liu Yong, Lai Zhong-Hong.First-principles study of FeAl(B2) microalloyed with La, Ac, Sc and Y. Acta Physica Sinica, 2012, 61(13): 137102.doi:10.7498/aps.61.137102 |
[9] |
Su Rui, Long Yao, Jiang Sheng-Li, He Jie, Chen Jun.Elastic properties of β-HMX under extra pressure: a first principles study. Acta Physica Sinica, 2012, 61(20): 206201.doi:10.7498/aps.61.206201 |
[10] |
Zhao Kun, Zhang Kun, Wang Jia-Jia, Yu Jin, Wu San-Xie.A first principles study on tetragonal distortion, magnetic property and elastic constants of Pd2 CrAl Heusler alloy. Acta Physica Sinica, 2011, 60(12): 127101.doi:10.7498/aps.60.127101 |
[11] |
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 |
[12] |
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 |
[13] |
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 |
[14] |
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 |
[15] |
Wang Hai-Yan, Cui Hong-Bao, Li Chang-Yun, Li Xu-Sheng, Wang Kuang-Fei.First-principles studies of the phase transition and thermodynamic properties of AlAs. Acta Physica Sinica, 2009, 58(8): 5598-5603.doi:10.7498/aps.58.5598 |
[16] |
Lu Zhi-Peng, Zhu Wen-Jun, Liu Shao-Jun, Lu Tie-Cheng, Chen Xiang-Rong.Structure phase transition from α to ε in Fe under non-hydrostatic pressure: an ab initio study. Acta Physica Sinica, 2009, 58(3): 2083-2089.doi:10.7498/aps.58.2083 |
[17] |
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 |
[18] |
Liu Na-Na, Song Ren-Bo, Sun Han-Ying, Du Da-Wei.The electronic structure and thermodynamic properties of Mg2Sn from first-principles calculations. Acta Physica Sinica, 2008, 57(11): 7145-7150.doi:10.7498/aps.57.7145 |
[19] |
Zhou Jing-Jing, Gao Tao, Zhang Chuan-Yu, Zhang Yun-Guang.First-principles study on the microarrangement of Al and structure and elasticity of LaNi3.75Al1.25. Acta Physica Sinica, 2007, 56(4): 2311-2317.doi:10.7498/aps.56.2311 |
[20] |
Chen Chang-Bo, Liu Zhi_Ming, Ma Yan_Ming, Cui Tian, Liu Bing-Bing, Zou Guang_Tian.Influence of pressure and impurity hydrogen on the elastic property of metal lithium. Acta Physica Sinica, 2007, 56(5): 2828-2832.doi:10.7498/aps.56.2828 |