The investigation on effect of property of ZnO photoelectric material by Ta-doping
Ta掺杂对ZnO光电材料性能影响的研究

In this paper, the electronic structure and the optical properties of ZnO doped with Ta are calculated by the first-principles method based on the density function theory. The calculation results show that fermi energy levels enter into the conduction band after Ta-doped. With the increase of Ta concentration, the bandgap of ZnO is reduced and dielectric function imaginary part, absorption coefficient, the refractive index, and reflectivity are all changed significantly. The imaginary part of dielectric function and the reflectivity shift toward the higher-energy region. The absorption edge shifts to ward the red. The relationship between electronic structure and optical properties is pointed out in theory.