| [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] |
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 |
| [4] |
Huang Ao, Lu Zhi-Peng, Zhou Meng, Zhou Xiao-Yun, Tao Ying-Qi, Sun Peng, Zhang Jun-Tao, Zhang Ting-Bo.Effects of the doping of Al and O interstitial atoms on thermodynamic properties of -Al2O3:first-principles calculations. Acta Physica Sinica, 2017, 66(1): 016103.doi:10.7498/aps.66.016103 |
| [5] |
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 |
| [6] |
Pu Chun-Ying, Wang Li, Lü Lin-Xia, Yu Rong-Mei, He Chao-Zheng, Lu Zhi-Wen, Zhou Da-Wei.Pressure-induced structural transition and thermodynamic properties of NbSi2 from first-principles calculations. Acta Physica Sinica, 2015, 64(8): 087103.doi:10.7498/aps.64.087103 |
| [7] |
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 |
| [8] |
Zhai Dong, Wei Zhao, Feng Zhi-Fang, Shao Xiao-Hong, Zhang Ping.Properties of Cu1-xWx alloys at high pressure and high temperature from first-principles calculations. Acta Physica Sinica, 2014, 63(20): 206501.doi:10.7498/aps.63.206501 |
| [9] |
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 |
| [10] |
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 |
| [11] |
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 |
| [12] |
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 |
| [13] |
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 |
| [14] |
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 |
| [15] |
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 |
| [16] |
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 |
| [17] |
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 |
| [18] |
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 |
| [19] |
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 |
| [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 |
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