Electronic and Optical Properties of Al, Eu Single-Doped and Al-Eu Co-Doped ZnO

Abstract

The geometric structure, energy band structure, electronic state density and optical properties of undoped, Al single-doped, Eu single-doped and Al-Eu co-doped ZnO were systematically investigated by using first principles. From the analysis of the results before and after doping, it is found that the conduction band of the doped system moves to the low energy direction, and the Fermi level enters the conduction band, showing the properties of a n-type semiconductor. In terms of optical properties, the absorption coefficient and reflectivity of Al-ZnO in the visible light region are very low, indicating that it has a high light transmittance in the visible light region. On the contrary, Eu-ZnO and (Al, Eu)-ZnO have very high absorption coefficients and reflectivity in the visible and ultraviolet regions, and the absorption span is significantly larger than that of intrinsic ZnO. This provides a certain theoretical reference for the study of new light protection devices.