Sb掺SnO_2的光电性质研究

Research on the photoelectric property of SnO_2 doped Sb

基于密度泛函理论,我们研究了掺杂浓度为12.5%时Sb掺杂SnO2的电子结构和光学性质,包括能带结构、态密度、介电函数和光学吸收谱.掺杂后的SnO2材料的导电性得到了明显的增强,具有了半金属的性质;费米能级处能带细化,介电常数和光学吸收谱具有对应关系,光学吸收谱峰值发生了蓝移.

Based on Density Functional Theory, this paper investigates the electronic structures and the optical properties of Sb doped SnO2 with density of 12.5%, including band structure,the density of state（dos）,dielectric function and optical absorption spectrum. The results show that Fermi level access valence band gradually with the doped density. And this attributes to the increased folded state, which enhances the electrical and metal property of material; The peaks of absorption spectrum and dielectric spectrum correspond, optical absorption edge decreases and the absorption peaks show blue shift.