[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] |
Zhou Jia-Jian, Zhang Yu-Wen, He Chao-Yu, Ouyang Tao, Li Jin, Tang Chao.First-principles study of structure prediction and electronic properties of two-dimensional SiP2allotropes. Acta Physica Sinica, 2022, 71(23): 236101.doi:10.7498/aps.71.20220853 |
[3] |
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 |
[4] |
Qin Jing-Yun, Shu Qun-Wei, Yuan Yi, Qiu Wei, Xiao Li-Hua, Peng Ping, Lu Guo-Song.First-principles investigation on electronic structure and solar radiation shielding performance of Tl0.33WO3. Acta Physica Sinica, 2020, 69(4): 047102.doi:10.7498/aps.69.20191577 |
[5] |
Zhao Bai-Qiang, Zhang Yun, Qiu Xiao-Yan, Wang Xue-Wei.First-principles study on the electronic structures and optical properties of Cu, Fe doped LiNbO_3 crystals. Acta Physica Sinica, 2016, 65(1): 014212.doi:10.7498/aps.65.014212 |
[6] |
Liu Bo, Wang Xuan-Jun, Bu Xiao-Yu.First principles investigations of structural, electronic and elastic properties of ammonium perchlorate under high pressures. Acta Physica Sinica, 2016, 65(12): 126102.doi:10.7498/aps.65.126102 |
[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] |
Wang Yin, Feng Qing, Wang Wei-Hua, Yue Yuan-Xia.First-principles study on the electronic and optical property of C-Zn co-doped anatase TiO2. Acta Physica Sinica, 2012, 61(19): 193102.doi:10.7498/aps.61.193102 |
[13] |
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 |
[14] |
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 |
[15] |
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 |
[16] |
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 |
[17] |
Kong Xiang-Lan, Hou Qin-Ying, Su Xi-Yu, Qi Yan-Hua, Zhi Xiao-Fen.First-principles study of the electronic structure and optical properties of Ba0.5Sr0.5TiO3. Acta Physica Sinica, 2009, 58(6): 4128-4131.doi:10.7498/aps.58.4128 |
[18] |
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 |
[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 |