Theoretical study of structural, electronic and optical properties of InxGa1-xN alloys

In this work, structural, electronic and optical properties of InxGa1-xN are calculated by using full potential linearized augmented plane wave method. The calculated lattice parameters are found to be increased with the increase in In concentration and slightly deviating from the Vegard's law. Band gaps are calculated by generalized gradient approximation (GGA) and modified Beck-Johnson (mBJ) GGA. The calculated band gaps are found to be decreased with the increase in In Concentration. The mBJ-GGA band gaps are very close to experimental values. Optical characteristics such as refractive index and dielectric constants are also calculated. The calculated parameters suggested that the materials are suitable for optoelectronics applications.