[1] |
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 |
[2] |
Gong Ling-Yun, Zhang Ping, Chen qian, Lou Zhi-Hao, Xu Jie, Gao Feng.First principles study of structure and property of Nb5+-doped SrTiO3. Acta Physica Sinica, 2021, 70(22): 227101.doi:10.7498/aps.70.20211241 |
[3] |
Fu Xian-Kai, Chen Wan-Qi, Jiang Zhong-Sheng, Yang Bo, Zhao Xiang, Zuo Liang.First-principles investigation on elastic, electronic, and optical properties of Ti3O5. Acta Physica Sinica, 2019, 68(20): 207301.doi:10.7498/aps.68.20190664 |
[4] |
Qi Yu-Min, Chen Heng-Li, Jin Peng, Lu Hong-Yan, Cui Chun-Xiang.First-principles study of electronic structures and optical properties of Mn and Cu doped potassium hexatitanate (K2Ti6O13). Acta Physica Sinica, 2018, 67(6): 067101.doi:10.7498/aps.67.20172356 |
[5] |
Hu Jie-Qiong, Xie Ming, Chen Jia-Lin, Liu Man-Men, Chen Yong-Tai, Wang Song, Wang Sai-Bei, Li Ai-Kun.First principles study of electronic and elastic properties of Ti3AC2 (A = Si, Sn, Al, Ge) phases. Acta Physica Sinica, 2017, 66(5): 057102.doi:10.7498/aps.66.057102 |
[6] |
Xu Jing, Liang Jia-Qing, Li Hong-Ping, Li Chang-Sheng, Liu Xiao-Juan, Meng Jian.First-principles study on the electronic structure of Ti-doped NbSe2. Acta Physica Sinica, 2015, 64(20): 207101.doi:10.7498/aps.64.207101 |
[7] |
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 |
[8] |
Shen Jie, Wei Bin, Zhou Jing, Shen Shirley Zhiqi, Xue Guang-Jie, Liu Han-Xing, Chen Wen.First-principle study of electronic structure and optical properties of Ba(Mg1/3Nb2/3)O3. Acta Physica Sinica, 2015, 64(21): 217801.doi:10.7498/aps.64.217801 |
[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] |
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 |
[12] |
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 |
[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] |
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 |
[16] |
Zhang Rui-Shuo, Liu Yong, Teng Fan, Song Chen-Lu, Han Gao-Rong.Electronic and optical properties of anatase and rutile TiO2:Nb. Acta Physica Sinica, 2012, 61(1): 017101.doi:10.7498/aps.61.017101 |
[17] |
Liu Jian-Jun.First-principles calculation of electronic structure of (Zn,Al)O and analysis of its conductivity. Acta Physica Sinica, 2011, 60(3): 037102.doi:10.7498/aps.60.037102 |
[18] |
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 |
[19] |
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 |
[20] |
Peng Li-Ping, Xu Ling, Yin Jian-Wu.First-principles study the optical properties of anatase TiO2 by N-doping. Acta Physica Sinica, 2007, 56(3): 1585-1589.doi:10.7498/aps.56.1585 |