A role of Eu-doping on Electronic Structure and Optical Properties of ZnO from First-principles

Based on the first principles, the electronic and optical properties of Eu-doped ZnO have been investigated. The calculated results indicate that the Fermi level moves to the conduction band, and highly localized Eu-4f states exist near the Fermi level after Eu-doping into ZnO. It is also found that the optical properties are changed greatly in the low-energy region after doping. However, there is almost no effect in the high-energy region. The changes of optical properties are explained in connection with the calculated electronic properties.