[1] |
Wu Yu-Yang, Li Wei, Ren Qing-Ying, Li Jin-Ze, Xu Wei, Xu Jie.First-principles study on adsorption of gas molecules by metal Sc modified Ti2CO2. Acta Physica Sinica, 2024, 73(7): 073101.doi:10.7498/aps.73.20231432 |
[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] |
Hou Qing-Yu, Li Yong, Zhao Chun-Wang.First-principles study of Al-doped and vacancy on the magnetism of ZnO. Acta Physica Sinica, 2017, 66(6): 067202.doi:10.7498/aps.66.067202 |
[4] |
Pan Feng-Chun, Xu Jia-Nan, Yang Hua, Lin Xue-Ling, Chen Huan-Ming.Ferromagnetism of undoped anatase TiO2 based on the first-principles calculations. Acta Physica Sinica, 2017, 66(5): 056101.doi:10.7498/aps.66.056101 |
[5] |
Lin Qiao-Lu, Li Gong-Ping, Xu Nan-Nan, Liu Huan, Wang Cang-Long.A first-principles study on magnetic properties of the intrinsic defects in rutile TiO2. Acta Physica Sinica, 2017, 66(3): 037101.doi:10.7498/aps.66.037101 |
[6] |
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 |
[7] |
Li Cong, Zheng You-Jin, Fu Si-Nian, Jiang Hong-Wei, Wang Dan.First-principle study of the magnetism and photocatalyticactivity of RE(La/Ce/Pr/Nd) doping anatase TiO2. Acta Physica Sinica, 2016, 65(3): 037102.doi:10.7498/aps.65.037102 |
[8] |
Huang You-Lin, Hou Yu-Hua, Zhao Yu-Jun, Liu Zhong-Wu, Zeng De-Chang, Ma Sheng-Can.Influences of strain on electronic structure and magnetic properties of CoFe2O4 from first-principles study. Acta Physica Sinica, 2013, 62(16): 167502.doi:10.7498/aps.62.167502 |
[9] |
Lin Ling, Zhu Jia-Jie, Fang Hong.First-principles study on cation-doped Lu2Si2O7. Acta Physica Sinica, 2013, 62(14): 147101.doi:10.7498/aps.62.147101 |
[10] |
Cao Juan, Cui Lei, Pan Jing.Magnetism of V, Cr and Mn doped MoS2 by first-principal study. Acta Physica Sinica, 2013, 62(18): 187102.doi:10.7498/aps.62.187102 |
[11] |
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 |
[12] |
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 |
[13] |
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 |
[14] |
Nie Zhao-Xiu, Wang Feng, Cheng Zhi-Mei, Wang Xin-Qiang, Lu Li-Ya, Liu Gao-Bin, Duan Zhuang-Fen.First-principles study on electronic structure and half-metallicferromagnetism of ternary compound ZnCrS. Acta Physica Sinica, 2011, 60(9): 096301.doi:10.7498/aps.60.096301 |
[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] |
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 |
[17] |
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 |
[18] |
Xu Hong-Bin, Wang Yuan-Xu.First-principles study of low-compressibility of transition-metal Tc and its nitrides TcN,TcN2,TcN3 and TcN4. Acta Physica Sinica, 2009, 58(8): 5645-5652.doi:10.7498/aps.58.5645 |
[19] |
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 |
[20] |
Yao Hong-Ying, Gu Xiao, Ji Min, Zhang Di-Er, Gong Xin-Gao.First-principles study of metal atoms adsorbed on SiO2 surface. Acta Physica Sinica, 2006, 55(11): 6042-6046.doi:10.7498/aps.55.6042 |