[1] |
Huang Sheng-Xing, Chen Jian, Wang Wen-Fei, Wang Xu-Dong, Yao Man.First principle calculation of thermoelectric transport performances of new dual transition metal MXene. Acta Physica Sinica, 2024, 73(14): 146301.doi:10.7498/aps.73.20240432 |
[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] |
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 |
[4] |
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 |
[5] |
Fan Li-Hua, Cao Jue-Xian.The catalytic effect of transition matel doped Al (111) surfaces for hydrogen splitting. Acta Physica Sinica, 2015, 64(3): 038801.doi:10.7498/aps.64.038801 |
[6] |
Liao Jian, Xie Zhao-Qi, Yuan Jian-Mei, Huang Yan-Ping, Mao Yu-Liang.First-principles study of 3d transition metal Co doped core-shell silicon nanowires. Acta Physica Sinica, 2014, 63(16): 163101.doi:10.7498/aps.63.163101 |
[7] |
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 |
[8] |
Zhang Pin-Liang, Gong Zi-Zheng, Ji Guang-Fu, Liu Song.First-principles study of high-pressure physical properties of α-Ti2Zr. Acta Physica Sinica, 2013, 62(4): 046202.doi:10.7498/aps.62.046202 |
[9] |
Wang Hai-Yan, Li Chang-Yun, Gao Jie, Hu Qian-Ku, Mi Guo-Fa.First-principles studies of the structural and thermodynamic properties of TiAl3 under high pressure. Acta Physica Sinica, 2013, 62(6): 068105.doi:10.7498/aps.62.068105 |
[10] |
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 |
[11] |
Lu Zhi-Wen, Zhong Zhi-Guo, Liu Ke-Tao, Song Hai-Zhen, Li Gen-Quan.First-principles calculations of microstructure and thermodynamic properties of the intermetallic compound in Ag-Mg-Zn alloy under high pressure and high temperature. Acta Physica Sinica, 2013, 62(1): 016106.doi:10.7498/aps.62.016106 |
[12] |
Dai Yun-Ya, Yang Li, Peng Shu-Ming, Long Xing-Gui, Zhou Xiao-Song, Zu Xiao-Tao.First-principles calculation for mechanical properties of metal dihydrides. Acta Physica Sinica, 2012, 61(10): 108801.doi:10.7498/aps.61.108801 |
[13] |
Xin Xiao-Gui, Chen Xiang, Zhou Jing-Jing, Shi Si-Qi.A first principles study of the lattice dynamics property of LiFePO4. Acta Physica Sinica, 2011, 60(2): 028201.doi:10.7498/aps.60.028201 |
[14] |
Li Xue-Mei, Han Hui-Lei, He Guang-Pu.Lattice dynamical, dielectric and thermodynamic properties of LiNH2 from first principles. Acta Physica Sinica, 2011, 60(8): 087104.doi:10.7498/aps.60.087104 |
[15] |
Li Pei-Juan, Zhou Wei-Wei, Tang Yuan-Hao, Zhang Hua, Shi Si-Qi.Electronic structure,optical and lattice dynamical properties of CeO2:A first-principles study. Acta Physica Sinica, 2010, 59(5): 3426-3431.doi:10.7498/aps.59.3426 |
[16] |
Miao Ren-De, Tian Miao, Huang Gui-Qin.The lattice dynamics of BaVS3 compound. Acta Physica Sinica, 2008, 57(6): 3709-3713.doi:10.7498/aps.57.3709 |
[17] |
Duan Man-Yi, Xu Ming, Zhou Hai-Ping, Shen Yi-Bin, Chen Qing-Yun, Ding Ying-Chun, Zhu Wen-Jun.First-principles study on the electronic structure and optical properties of ZnO doped with transition metal and N. Acta Physica Sinica, 2007, 56(9): 5359-5365.doi:10.7498/aps.56.5359 |
[18] |
Zhao Zong-Yan, Liu Qing-Ju, Zhang Jin, Zhu Zhong-Qi.First-principles study of 3d transition metal-doped anatase. Acta Physica Sinica, 2007, 56(11): 6592-6599.doi:10.7498/aps.56.6592 |
[19] |
Lin Qiu-Bao, Li Ren-Quan, Zeng Yong-Zhi, Zhu Zi-Zhong.Electronic and magnetic properties of 3d transition-metal-doped Ⅲ-Ⅴ semiconductors:first-principle calculations. Acta Physica Sinica, 2006, 55(2): 873-878.doi:10.7498/aps.55.873 |
[20] |
Sun Xiao-Wei, Chu Yan-Dong, Liu Zi-Jiang, Liu Yu-Xiao, Wang Cheng-Wei, Liu Wei-Min.Molecular dynamics study on the structural and thermodynamic properties of the zinc-blende phase of GaN at high pressures and high temperatures. Acta Physica Sinica, 2005, 54(12): 5830-5836.doi:10.7498/aps.54.5830 |