[1] |
Yuan Wen-Ling, Yao Bi-Xia, Li Xi, Hu Shun-Bo, Ren Wei.First principles study on structural stability, mechanical, and thermodynamic properties ofγ'-Co3(V,M) (M= Ti, Ta) phase. Acta Physica Sinica, 2024, 73(8): 086104.doi:10.7498/aps.73.20231755 |
[2] |
Zhao Yu-Na, Cong Hong-Lu, Cheng Shuang, Yu Na, Gao Tao, Ma Jun-Gang.First-principles study of lattice dynamical and thermodynamic properties of Li2NH. Acta Physica Sinica, 2019, 68(13): 137102.doi:10.7498/aps.68.20190139 |
[3] |
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 |
[4] |
Deng Shi-Jie, Zhao Yu-Hong, Hou Hua, Wen Zhi-Qin, Han Pei-De.Structural, mechanical and thermodynamic properties of Ti2AlX (X= C, N) at high pressure. Acta Physica Sinica, 2017, 66(14): 146101.doi:10.7498/aps.66.146101 |
[5] |
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 |
[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] |
Cheng He-Ping, Dan Jia-Kun, Huang Zhi-Meng, Peng Hui, Chen Guang-Hua.First-principles study on the electronic structure and optical properties of RDX. Acta Physica Sinica, 2013, 62(16): 163102.doi:10.7498/aps.62.163102 |
[8] |
Zhao Yu-Na, Gao Tao, Lü Jin-Zhong, Ma Jun-Gang.Thermodynamic properties of Li-N-H hydrogen storage: first-principles study. Acta Physica Sinica, 2013, 62(14): 143101.doi:10.7498/aps.62.143101 |
[9] |
Zhao Li-Kai, Zhao Er-Jun, Wu Zhi-Jian.First-principles calculations of structural thermodynamic and mechanical properties of 5d transitional metal diborides. Acta Physica Sinica, 2013, 62(4): 046201.doi:10.7498/aps.62.046201 |
[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] |
Yan Xiao-Zhen, Kuang Xiao-Yu, Mao Ai-Jie, Kuang Fang-Guang, Wang Zhen-Hua, Sheng Xiao-Wei.First-principles study on the elastic, electronic and thermodynamic properties of ErNi2B2C under high pressure. Acta Physica Sinica, 2013, 62(10): 107402.doi:10.7498/aps.62.107402 |
[12] |
Song Qing-Gong, Liu Li-Wei, Zhao Hui, Yan Hui-Yu, Du Quan-Guo.First-principles study on the electronic structure and optical properties of YFeO3. Acta Physica Sinica, 2012, 61(10): 107102.doi:10.7498/aps.61.107102 |
[13] |
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 |
[14] |
Wang Bin, Liu Ying, Ye Jin-Wen.First-principle calculations of elastic, electronic and thermodynamic properties of TiC under high pressure. Acta Physica Sinica, 2012, 61(18): 186501.doi:10.7498/aps.61.186501 |
[15] |
Zhang Wei, Chen Wen-Zhou, Wang Jun-Fei, Zhang Xiao-Dong, Jiang Zhen-Yi.Ab initio calculation of phase transitions, elastic, and thermodynamic properties of MnPd alloys. Acta Physica Sinica, 2012, 61(24): 246201.doi:10.7498/aps.61.246201 |
[16] |
Li Xiao-Feng, Liu Zhong-Li, Peng Wei-Min, Zhao A-Ke.Elastic and thermodynamic properties of CaPo under pressure via first-principles calculations. Acta Physica Sinica, 2011, 60(7): 076501.doi:10.7498/aps.60.076501 |
[17] |
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 |
[18] |
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 |
[19] |
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 |
[20] |
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 |