Computational and experimental approach for investigation of electronic and optical response of MgxCu2-xO
Computational and experimental approach for investigation of electronic and optical response of MgxCu2-xO
The electronic and optical characteristics of Cu2O based semiconductor materials are recently focused on due to
having applications in modern electronic devices and solar cells. In this study, Mg incorporated Cu2O structures
were simulated using density functional theory calculations for the prediction of electronic and optical response.
The simulations were carried out using the generalized gradient approximation approach by considering the fullpotential
linearized augmented plane wave method. Pure and Mg incorporated Cu2O thin films with 3.7, 5.5, and
12.5% Mg contents were deposited in uniform morphology using spin coating technique. Ab-initio and experimental
investigations present a strong correlation of electronic and optical properties. The bandgap was observed
to decrease with the incorporation of Mg in the Cu2O structure. The absorption coefficient and real epsilon depict
a sharp increment with Mg doping in the visible regime. The specific outcomes make these materials excellent
candidates for dielectric and optoelectronic applications.
The electronic and optical characteristics of Cu2O based semiconductor materials are recently focused on due to
having applications in modern electronic devices and solar cells. In this…