Analysis of two-phonon infrared spectral features of gallium arsenide and indium phosphide by first-principles calculations

Abstract

We perform a self-consistent calculation based on density functional perturbation theory to analyze the infrared spectral features of GaAs and InP arising from two-phonon processes. The features are identified and assigned the critical points in the first Brillouin zone. Distribution of the critical points is investigated. The analysis demonstrates that collections of phonons of wave vectors around symmetry points and along symmetry lines are responsible for strong infrared features in two-phonon processes.