[1] |
Liu Jun-Ling, Bai Yu-Jie, Xu Ning, Zhang Qin-Fang.First-principles study on electronic structure of GaS/Mg(OH)2heterostructure. Acta Physica Sinica, 2024, 73(13): 137103.doi:10.7498/aps.73.20231979 |
[2] |
Ding Chao, Li Wei1\2\3, Liu Ju-Yan, Wang Lin-Lin, Cai Yun, Pan Pei-Feng.First principle study of electronic structure of Sb, S Co-doped SnO2. Acta Physica Sinica, 2018, 67(21): 213102.doi:10.7498/aps.67.20181228 |
[3] |
Yang Liang, Wang Cai-Zhuang, Lin Shi-Wei, Cao Yang.First-principles investigation of oxygen diffusion mechanism in -titanium crystals. Acta Physica Sinica, 2017, 66(11): 116601.doi:10.7498/aps.66.116601 |
[4] |
Xue Li, Ren Yi-Ming.The first-principles study of electrical and thermoelectric properties of CuGaTe2 and CuInTe2. Acta Physica Sinica, 2016, 65(15): 156301.doi:10.7498/aps.65.156301 |
[5] |
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 |
[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] |
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 |
[8] |
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 |
[9] |
Wu Mu-Sheng, Xu Bo, Liu Gang, Ouyang Chu-Ying.First-principles study on the electronic structures of Cr- and W-doped single-layer MoS2. Acta Physica Sinica, 2013, 62(3): 037103.doi:10.7498/aps.62.037103 |
[10] |
Hou Qing-Yu, Wu Yun Ge Ri, Zhao Chun-Wang.Effects of the concentration of heavily oxygen vacancy of rutile TiO2 on electric conductivity performance from first principles study. Acta Physica Sinica, 2013, 62(16): 167201.doi:10.7498/aps.62.167201 |
[11] |
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 |
[12] |
Li Cong, Hou Qing-Yu, Zhang Zhen-Duo, Zhao Chun-Wang, Zhang Bing.First-principles study on the electronic structures and absorption spectra of Sm-N codoped anatase TiO2. Acta Physica Sinica, 2012, 61(16): 167103.doi:10.7498/aps.61.167103 |
[13] |
Li Cong, Hou Qing-Yu, Zhang Zhen-Duo, Zhang Bing.First-principles study on the doped concentration effect on electron lifespan and absorption spectrum of Eu-doping anatase TiO2. Acta Physica Sinica, 2012, 61(7): 077102.doi:10.7498/aps.61.077102 |
[14] |
He Xu, He Lin, Tang Ming-Jie, Xu Ming.Effects of the vacancy point-defect on electronic structure and optical properties of LiF under high pressure: A first principles investigation. Acta Physica Sinica, 2011, 60(2): 026102.doi:10.7498/aps.60.026102 |
[15] |
Yu Da-Long, Chen Yu-Hong, Cao Yi-Jie, Zhang Cai-Rong.Ab initio structural simulation and electronic structure of lithium imide. Acta Physica Sinica, 2010, 59(3): 1991-1996.doi:10.7498/aps.59.1991 |
[16] |
Yang Chong, Yang Chun.First-principles study of atomic and electronic structures of the silicon oxide clusters on Si(001) surfaces. Acta Physica Sinica, 2009, 58(8): 5362-5369.doi:10.7498/aps.58.5362 |
[17] |
Zhang Ji-Hua, Ding Jian-Wen, Lu Zhang-Hui.First-principles study of electrical structures and optical properties of Co:MgF2 crystal. Acta Physica Sinica, 2009, 58(3): 1901-1907.doi:10.7498/aps.58.1901 |
[18] |
Liu Na-Na, Song Ren-Bo, Sun Han-Ying, Du Da-Wei.The electronic structure and thermodynamic properties of Mg2Sn from first-principles calculations. Acta Physica Sinica, 2008, 57(11): 7145-7150.doi:10.7498/aps.57.7145 |
[19] |
Hou Qing-Yu, Zhang Yue, Zhang Tao.First-principles research on the effect of high oxygen vacancy concentration in anatase TiO2 on Mott phase transition, absorption spectrum Einstein shift and life_time of electrons. Acta Physica Sinica, 2008, 57(3): 1862-1866.doi:10.7498/aps.57.1862 |
[20] |
Pan Zhi-Jun, Zhang Lan-Ting, Wu Jian-Sheng.A first-principle study of electronic and geometrical structures of semiconducting β-FeSi2 with doping. Acta Physica Sinica, 2005, 54(11): 5308-5313.doi:10.7498/aps.54.5308 |