First principle calculation of electronic and optical properties of InP

We investigate the electronic and optical properties of InP in the zincblende phase using a plane wave basis with local density approximation (LDA). The Kohn Sham bandstructure of InP is obtained, from which the bandgap of the material is calculated. The density of states (DOS) of the two atoms of InP are also obtained. The complex dielectric function of InP is obtained from the derivative of the wave function with respect to the wave vectors in three dimension. The peaks in the spectrum of the complex part of the complex dielectric function are explained on the basis of the DOS. Refractive index, extinction coefficient and reflectivity of InP are also computed from the complex dielectric function.