Theoretical investigation of optical and structural properties of Ba-doped ZnO material

Abstract

The doping process is a technique widely used for improving the properties of semiconductors. Through insertion of doping controlled amount is possible change drastically the electronic, optical and structural properties of a material. This work focuses on effects of Ba atoms insertion on wurtzite-ZnO structure at 12.5% amount. The results showed that the presence of Ba in low quantity cause increase in the lattice parameters and decrease in band- gap in relation to the ZnO material. In the percentage of 12.5%, the doping is noted as a potential alternative for application in opt-electronic devices, electronic devices, solar cells and photocatalytic process.