[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] |
Yao Zhong-Yu, Sun Li, Pan Meng-Mei, Sun Shu-Juan, Liu Han-Jun.First-principles study on half-metallic ferromagnetism of half-Heusler alloys VLiBi and CrLiBi. Acta Physica Sinica, 2018, 67(21): 217501.doi:10.7498/aps.67.20181129 |
[3] |
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 |
[4] |
Yan Song-Ling, Tang Li-Ming, Zhao Yu-Qing.First-principles study of the electronic properties and magnetism of LaMnO3/SrTiO3 heterointerface with the different component thickness ratios. Acta Physica Sinica, 2016, 65(7): 077301.doi:10.7498/aps.65.077301 |
[5] |
Yao Zhong-Yu, Sun Li, Pan Meng-Mei, Sun Shu-Juan.First-principle studies of half-metallicities and magnetisms of the semi-Heusler alloys CoCrTe and CoCrSb. Acta Physica Sinica, 2016, 65(12): 127501.doi:10.7498/aps.65.127501 |
[6] |
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 |
[7] |
Wang Fan-Hou, Yang Jun-Sheng, Huang Duo-Hui, Cao Qi-Long, Yuan Di.Study on magnetic and optical properties of Mn-doped LiNbO3 by using the first principles. Acta Physica Sinica, 2015, 64(9): 097102.doi:10.7498/aps.64.097102 |
[8] |
Cheng Tai-Min, Sun Teng, Zhang Long-Yan, Zhang Xin-Xin, Zhu Lin, Li Lin.Phonon stability and magnetism of -Fe4N crystalline state alloys at high pressure. Acta Physica Sinica, 2015, 64(15): 156301.doi:10.7498/aps.64.156301 |
[9] |
Ma Lei, Wang Xu, Shang Jia-Xiang.Effect of Pd in NiTi on the martensitic transformation temperatures and hysteresis: a first-principles study. Acta Physica Sinica, 2014, 63(23): 233103.doi:10.7498/aps.63.233103 |
[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] |
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 |
[12] |
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 |
[13] |
Wang Yu-Mei, Pei Hui-Xia, Ding Jun, Wen Li-Wei.First-principles study of magnetism and electronic structureof Sb-containing half-Heusler alloys. Acta Physica Sinica, 2011, 60(4): 047110.doi:10.7498/aps.60.047110 |
[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] |
Luo Li-Jin, Zhong Chong-Gui, Jiang Xue-Fan, Fang Jing-Huai, Jiang Qing.A first-principles study of electronic structure, magnetism, response to pressure and tetragonal distortions of Ni2MnSi Heusler alloy. Acta Physica Sinica, 2010, 59(1): 521-526.doi:10.7498/aps.59.521 |
[16] |
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 |
[17] |
Jiang Xue-Fan, Luo Li-Jin, Jiang Qing, Zhong Chong-Gui, Tan Zhi-Zhong, Quan Hong-Rui.First-principle prediction of magnetic shape memory effect of Heusler alloy Mn2NiGe. Acta Physica Sinica, 2010, 59(11): 8037-8041.doi:10.7498/aps.59.8037 |
[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] |
Sun Yuan, Huang Zu-Fei, Fan Hou-Gang, Ming Xing, Wang Chun-Zhong, Chen Gang.First-principles investigation on the role of ions in ferroelectric transition of BiFeO3. Acta Physica Sinica, 2009, 58(1): 193-200.doi:10.7498/aps.58.193.1 |
[20] |
Zhu Jian-Xin, Li Yong-Hua, Meng Fan-Ling, Liu Chang-Sheng, Zheng Wei-Tao, Wang Yu-Ming.A first principles investigation on NiTi alloy. Acta Physica Sinica, 2008, 57(11): 7204-7209.doi:10.7498/aps.57.7204 |