[1] |
Wang Na, Xu Hui-Fang, Yang Qiu-Yun, Zhang Mao-Lian, Lin Zi-Jing.First-principles study of strain-tunable charge carrier transport properties and optical properties of CrI3monolayer. Acta Physica Sinica, 2022, 71(20): 207102.doi:10.7498/aps.71.20221019 |
[2] |
Li Fa-Yun, Yang Zhi-Xiong, Cheng Xue, Zeng Li-Ying, Ouyang Fang-Ping.First-principles study of electronic structure and optical properties of monolayer defective tellurene. Acta Physica Sinica, 2021, 70(16): 166301.doi:10.7498/aps.70.20210271 |
[3] |
Wang Chuang, Zhao Yong-Hong, Liu Yong.First-principles calculations of magnetic and optical properties of Ga1–xCrxSb (x = 0.25, 0.50, 0.75). Acta Physica Sinica, 2019, 68(17): 176301.doi:10.7498/aps.68.20182305 |
[4] |
Cheng Li, Wang De-Xing, Zhang Yang, Su Li-Ping, Chen Shu-Yan, Wang Xiao-Feng, Sun Peng, Yi Chong-Gui.Electronic structure and optical properties of Cu-O co-doped AlN. Acta Physica Sinica, 2018, 67(4): 047101.doi:10.7498/aps.67.20172096 |
[5] |
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 |
[6] |
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 |
[7] |
Pan Feng-Chun, Lin Xue-Ling, Chen Huan-Ming.Electronic structure and optical properties of C doped rutile TiO2: the first-principles calculations. Acta Physica Sinica, 2015, 64(22): 224218.doi:10.7498/aps.64.224218 |
[8] |
Luo Zui-Fen, Cen Wei-Fu, Fan Meng-Hui, Tang Jia-Jun, Zhao Yu-Jun.First-principles study of electronic and optical properties of BiTiO3. Acta Physica Sinica, 2015, 64(14): 147102.doi:10.7498/aps.64.147102 |
[9] |
Xie Zhi, Cheng Wen-Dan.First-principles study of electronic structure and optical properties of TiO2 nanotubes. Acta Physica Sinica, 2014, 63(24): 243102.doi:10.7498/aps.63.243102 |
[10] |
Cheng Xu-Dong, Wu Hai-Xin, Tang Xiao-Lu, Wang Zhen-You, Xiao Rui-Chun, Huang Chang-Bao, Ni You-Bao.First principles study on the electronic structures and optical properties of Na2Ge2Se5. Acta Physica Sinica, 2014, 63(18): 184208.doi:10.7498/aps.63.184208 |
[11] |
Cheng He-Ping, Dan Jia-Kun, Huang Zhi-Meng, Peng Hui, Chen Guang-Hua.First-principles study on the electronic structure and optical properties of RDX. Acta Physica Sinica, 2013, 62(16): 163102.doi:10.7498/aps.62.163102 |
[12] |
Yang Chun-Yan, Zhang Rong, Zhang Li-Min, Ke Xiang-Wei.Electronic structure and optical properties of 0.5NdAlO3-0.5CaTiO3 from first-principles calculation. Acta Physica Sinica, 2012, 61(7): 077702.doi:10.7498/aps.61.077702 |
[13] |
Song Qing-Gong, Liu Li-Wei, Zhao Hui, Yan Hui-Yu, Du Quan-Guo.First-principles study on the electronic structure and optical properties of YFeO3. Acta Physica Sinica, 2012, 61(10): 107102.doi:10.7498/aps.61.107102 |
[14] |
Li Ming-Biao, Zhang Tian-Xian, Shi Li-Bin.Magnetic properties of N-doped(1120) ZnO thin films. Acta Physica Sinica, 2011, 60(9): 097504.doi:10.7498/aps.60.097504 |
[15] |
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 |
[16] |
Yuan Di, Luo Hua-Feng, Huang Duo-Hui, Wang Fan-Hou.First-principles study of Zn,O codoped p-type AlN. Acta Physica Sinica, 2011, 60(7): 077101.doi:10.7498/aps.60.077101 |
[17] |
Li Xiao-Feng, Ji Guang-Fu, Peng Wei-Min, Shen Xiao-Meng, Zhao Feng.Elastic constants, electronic structure and optical properties of solid krypton under pressure by first-principles calculations. Acta Physica Sinica, 2009, 58(4): 2660-2666.doi:10.7498/aps.58.2660 |
[18] |
Guan Li, Li Qiang, Zhao Qing-Xun, Guo Jian-Xin, Zhou Yang, Jin Li-Tao, Geng Bo, Liu Bao-Ting.First-principles study of the optical properties of ZnO doped with Al, Ni. Acta Physica Sinica, 2009, 58(8): 5624-5631.doi:10.7498/aps.58.5624 |
[19] |
Bi Yan-Jun, Guo Zhi-You, Sun Hui-Qing, Lin Zhu, Dong Yu-Cheng.The electronic structure and optical properties of Co and Mn codoped ZnO from first-principle study. Acta Physica Sinica, 2008, 57(12): 7800-7805.doi:10.7498/aps.57.7800 |
[20] |
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 |