[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] |
Wu Hong-Fen, Feng Pan-Jun, Zhang Shuo, Liu Da-Peng, Gao Miao, Yan Xun-Wang.First-principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2022, 71(3): 036801.doi:10.7498/aps.71.20211631 |
[3] |
.First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211631 |
[4] |
Wang Xiao, Huang Sheng-Xiang, Luo Heng, Deng Lian-Wen, Wu Hao, Xu Yun-Chao, He Jun, He Long-Hui.First-principles study of electronic structure and optical properties of nickel-doped multilayer graphene. Acta Physica Sinica, 2019, 68(18): 187301.doi:10.7498/aps.68.20190523 |
[5] |
Yan Xiao-Tong, Hou Yu-Hua, Zheng Shou-Hong, Huang You-Lin, Tao Xiao-Ma.First-principles study of effects of Ga, Ge and As doping on electrochemical properties and electronic structure of Li2CoSiO4serving as cathode material for Li-ion batteries. Acta Physica Sinica, 2019, 68(18): 187101.doi:10.7498/aps.68.20190503 |
[6] |
Deng Sheng-Hua, Jiang Zhi-Lin.First-principles study on p-type ZnO codoped with F and Na. Acta Physica Sinica, 2014, 63(7): 077101.doi:10.7498/aps.63.077101 |
[7] |
Zhang Zhao-Fu, Geng Zhao-Hui, Wang Peng, Hu Yao-Qiao, Zheng Yu-Fei, Zhou Tie-Ge.Properties of 5d atoms doped boron nitride nanotubes:a first-principles calculation and molecular orbital analysis. Acta Physica Sinica, 2013, 62(24): 246301.doi:10.7498/aps.62.246301 |
[8] |
Liu Fang, Jiang Zhen-Yi.First-principles study on the electronic and optical properties of the (Eu,N)-codoped anatase TiO2 photocatalyst. Acta Physica Sinica, 2013, 62(19): 193103.doi:10.7498/aps.62.193103 |
[9] |
Wang Xin, Wang Fa-Zhan, Lei Zhe-Feng, Wang Bo, Ma Shan, Wang Zhe, Wu Zhen.First-principles study of field emission properties for ZnO nanotuber capped and codoped with N-M(Cd, Mg). Acta Physica Sinica, 2013, 62(12): 123101.doi:10.7498/aps.62.123101 |
[10] |
Peng Li-Ping, Xia Zheng-Cai, Yang Chang-Quan.First-principles calculation of matal and nonmetal codoped anantase TiO2. Acta Physica Sinica, 2012, 61(12): 127104.doi:10.7498/aps.61.127104 |
[11] |
Deng Jiao-Jiao, Liu Bo, Gu Mu, Liu Xiao-Lin, Huang Shi-Ming, Ni Chen.First principles calculation of electronic structures and optical properties for -CuX(X = Cl, Br, I). Acta Physica Sinica, 2012, 61(3): 036105.doi:10.7498/aps.61.036105 |
[12] |
Cheng Liang, Gan Zhang-Hua, Liu Wei, Zhao Xing-Zhong.First principles calculations of the electronic structure and optical properties of pure and (Nb, N) co-doped anatase. Acta Physica Sinica, 2012, 61(23): 237107.doi:10.7498/aps.61.237107 |
[13] |
Qu Nian-Rui, Gao Fa-Ming.Theoretical study on electronic structure and properties of solid carbon dioxide. Acta Physica Sinica, 2011, 60(6): 067102.doi:10.7498/aps.60.067102 |
[14] |
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 |
[15] |
Wang Zhi-Gang, Zhang Yang, Wen Yu-Hua, Zhu Zi-Zhong.First-principles calculation of structural stability and electronic properties of ZnO atomic chains. Acta Physica Sinica, 2010, 59(3): 2051-2056.doi:10.7498/aps.59.2051 |
[16] |
Zhang Xue-Jun, Gao Pan, Liu Qing-Ju.First-principles study on electronic structure and optical properties of anatase TiO2 codoped with nitrogen and iron. Acta Physica Sinica, 2010, 59(7): 4930-4938.doi:10.7498/aps.59.4930 |
[17] |
Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai.Effect of Nb on electronic structure of NiTi intermetallic compound: A first-principles study. Acta Physica Sinica, 2010, 59(1): 515-520.doi:10.7498/aps.59.515 |
[18] |
Liu Qiang, Cheng Xin-Lu, Fan Yong-Heng, Yang Xiang-Dong.First-principles calculation of p-Zn1-xMgxO electronic structure by doping with Al and N. Acta Physica Sinica, 2009, 58(4): 2684-2691.doi:10.7498/aps.58.2684 |
[19] |
Huang Dan, Shao Yuan-Zhi, Chen Di-Hu, Guo Jin, Li Guang-Xu.First-principles calculation on the electronic structure and absorption spectrum of the wurtzite Zn1-xMgxO alloys. Acta Physica Sinica, 2008, 57(2): 1078-1083.doi:10.7498/aps.57.1078 |
[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 |