Density Functional Theory Calculation on Electronic Structure and Optical Properties of Copper Doped SnO_2

摘要

Based on Density Functional Theory, we investigated the optical structures and the electronic properties of Cu doped SnO_2 with density of 4.35%, including band structure, the density of state (dos), reflectivity spectrum and optical absorption spectrum. The results show that Fermi level access conduction band gradually with the doped density. It has enhanced the electrical and metal property of material. The peaks of reflectivity spectrum and absorption spectrum are correspond density of state.