First-Principles Calculations of Optical Properties of AlN, GaN, and InN Compounds under Hydrostatic Pressure

Abstract

We present first-principles full-potential linearized augmented plane wave calculations of the effect of hydrostatic pressure on the optical properties of wurtzite GaN, InN and AlN compounds. The refractive index and its variation with hydrostatic pressure are well described. The accurate calculation of linear optical function (refraction index and its pressure derivative, and both imaginary and real parts of dielectric function) is performed in the photon energy range up to 30 eV. The predicted optical constant agrees well with the available experimental data.