Crystal Dynamic Study of Gallium Arsenide (GaAs) using a Theoretical Approach of van der Waals Three-body Force Shell Model (VTSM)

Abstract

The compound semiconductors of zinc-blende structures (ZBS) are the promising materials for numerous experimental and theoretical investigations. These investigations are the consequences of efforts devoted to understand the interesting crystal properties and interaction mechanism exhibited by these compounds. In this paper we have developed our computed phonon dispersion curve for GaAs along three symmetry directions [q, 0, 0]; [q, q, 0] and [q, q, q] in K-space have been found to be in excellent agreement with the measured inelastic neutron scattering data. We also report Debye temperature variation, two-phonon IR/Raman spectra and anharmonic elastic properties. It is concluded that VTSM is adequately capable of describing the complete crystal dynamic study of zinc-blende structure crystals satisfying well.