First principles calculation of electronic properties and effective mass of zinc-blende GaN

Abstract

Based on the first principle pseudopotential plane wave method, the electronic structure of zinc-blende semiconductor GaN is calculated. Using the relativistic treatment of valence states, the spin orbit splitting energy of valence band top near the center of Brillouin region is calculated. Based on the effective mass approximation theory, the effective mass of electrons near the bottom of the conduction band and the effective mass of light and heavy holes near the Γ point along the directions of [100], [110] and [111] are calculated. These parameters are valuable and important parameters of optoelectronic materials.

Keywords

• zinc-blende gan
• electronic structure
• effective-mass
• first principle