[1] |
Yan Zhi, Fang Cheng, Wang Fang, Xu Xiao-Hong.First-principles calculations of structural and magnetic properties of SmCo3alloys doped with transition metal elements. Acta Physica Sinica, 2024, 73(3): 037502.doi:10.7498/aps.73.20231436 |
[2] |
Xie Xiang-Nan, Li Cheng, Zeng Jun-Wei, Zhou Shen, Jiang Tian.Research progress of intrinsic magnetic topological insulator MnBi2Te4. Acta Physica Sinica, 2023, 72(18): 187101.doi:10.7498/aps.72.20230704 |
[3] |
Chen Guang-Ping, Yang Jin-Ni, Qiao Chang-Bing, Huang Lu-Jun, Yu Jing.First-principles calculations of local structure and electronic properties of Er3+-doped TiO2. Acta Physica Sinica, 2022, 71(24): 246102.doi:10.7498/aps.71.20221847 |
[4] |
Liang Ting, Wang Yang-Yang, Liu Guo-Hong, Fu Wang-Yang, Wang Huai-Zhang, Chen Jing-Fei.First-principles investigations on gas adsorption properties of V-doped monolayer MoS2. Acta Physica Sinica, 2021, 70(8): 080701.doi:10.7498/aps.70.20202043 |
[5] |
Zhong Shu-Lin, Qiu Jia-Hao, Luo Wen-Wei, Wu Mu-Sheng.First-principles study of properties of rare-earth-doped LiFePO4. Acta Physica Sinica, 2021, 70(15): 158203.doi:10.7498/aps.70.20210227 |
[6] |
Wang Yan, Chen Nan-Di, Yang Chen, Zeng Zhao-Yi, Hu Cui-E, Chen Xiang-Rong.Thermoelectric transport properties of two-dimensional materialsXTe2(X= Pd, Pt) via first-principles calculations. Acta Physica Sinica, 2021, 70(11): 116301.doi:10.7498/aps.70.20201939 |
[7] |
Zheng Lu-Min, Zhong Shu-Ying, Xu Bo, Ouyang Chu-Ying.First-principles study of rare-earth-doped cathode materials Li2MnO3in Li-ion batteries. Acta Physica Sinica, 2019, 68(13): 138201.doi:10.7498/aps.68.20190509 |
[8] |
Gao Miao, Kong Xin, Lu Zhong-Yi, Xiang Tao.First-principles study of electron-phonon coupling and superconductivity in compound Li2C2. Acta Physica Sinica, 2015, 64(21): 214701.doi:10.7498/aps.64.214701 |
[9] |
Peng Qiong, He Chao-Yu, Li Jin, Zhong Jian-Xin.First-principles study of electronic properties of MoSi2 thin films. Acta Physica Sinica, 2015, 64(4): 047102.doi:10.7498/aps.64.047102 |
[10] |
Chen Jia-Hua, Liu En-Ke, Li Yong, Qi Xin, Liu Guo-Dong, Luo Hong-Zhi, Wang Wen-Hong, Wu Guang-Heng.First-principles investigations on tetragonal distortion, electronic structure, magnetism, and phonon dispersion of Ga2XCr (X = Mn, Fe, Co, Ni, Cu) Heusler alloys. Acta Physica Sinica, 2015, 64(7): 077104.doi:10.7498/aps.64.077104 |
[11] |
Wang Xiao-Tian, Dai Xue-Fang, Jia Hong-Ying, Wang Li-Ying, Liu Ran, Li Yong, Liu Xiao-Chuang, Zhang Xiao-Ming, Wang Wen-Hong, Wu Guang-Heng, Liu Guo-Dong.The band inversion and topological insulating state of Heusler alloys:X2RuPb (X=Lu, Y). Acta Physica Sinica, 2014, 63(2): 023101.doi:10.7498/aps.63.023101 |
[12] |
Jiao Zhao-Yong, Guo Yong-Liang, Niu Yi-Jun, Zhang Xian-Zhou.The first principle study of electronic and optical properties of defect chalcopyrite XGa2S4 (X=Zn, Cd, Hg). Acta Physica Sinica, 2013, 62(7): 073101.doi:10.7498/aps.62.073101 |
[13] |
Li Rong, Luo Xiao-Ling, Liang Guo-Ming, Fu Wen-Sheng.First-principles study of influence of dopants Fe on the dehydrogenation properties of VH2. Acta Physica Sinica, 2011, 60(11): 117105.doi:10.7498/aps.60.117105 |
[14] |
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 |
[15] |
Gu Mu, Lin Ling, Liu Bo, Liu Xiao-Lin, Huang Shi-Ming, Ni Chen.Fist-principle calculation for electronic structure of M’-GdTaO4. Acta Physica Sinica, 2010, 59(4): 2836-2842.doi:10.7498/aps.59.2836 |
[16] |
Tan Xing-Yi, Jin Ke-Xin, Chen Chang-Le, Zhou Chao-Chao.Electronic structure of YFe2B2by first-principles calculation. Acta Physica Sinica, 2010, 59(5): 3414-3417.doi:10.7498/aps.59.3414 |
[17] |
Hu Fang, Ming Xing, Fan Hou-Gang, Chen Gang, Wang Chun-Zhong, Wei Ying-Jin, Huang Zu-Fei.First-principles study on the electronic structures of the ladder compound NaV2O4F. Acta Physica Sinica, 2009, 58(2): 1173-1178.doi:10.7498/aps.58.1173 |
[18] |
Song Qing-Gong, Wang Yan-Feng, Song Qing-Long, Kang Jian-Hai, Chu Yong.First-principle study on the electronic structures of intercalation compound Ag1/4TiSe2. Acta Physica Sinica, 2008, 57(12): 7827-7832.doi:10.7498/aps.57.7827 |
[19] |
Hou Qing-Yu, Zhang Yue, Chen Yue, Shang Jia-Xiang, Gu Jing-Hua.Effects of the concentration of oxygen vacancy of anatase on electric conducting performance studied by frist principles calculations. Acta Physica Sinica, 2008, 57(1): 438-442.doi:10.7498/aps.57.438 |
[20] |
Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai.Effect of Nb doping on electronic structure of TiO2/NiTi interface: A first-principle study. Acta Physica Sinica, 2008, 57(12): 7794-7799.doi:10.7498/aps.57.7794 |