Studies of Optical and Phonon Properties of Wurtzite Gallium Nitride: First-principle Calculations

Abstract

In this chapter, We looked into the optical propertiessuch as refractive index n(\(\omega\)), absorption coefficient \(\alpha\)(\(\omega\)), and dielectric constant of wurtzite (WZ) GaN semiconductor using the plane-wave pseudopotential method within density functional theory (DFT).  The optical phonon modes were also calculated at 0 GPa utilising phonon calculation on Cambridge Serial Total Energy Package (CASTEP) software. All of the aforementioned parameters' calculated values are compared with available experimental values and the values reported by different workers. They have reached a fairly good agreement.