Use Linear Combination of Atomic Orbital Models to Study Wurtzite Semiconductor Band Structure

by Hsieh, Kun-lin

A simple theoretical method for calculating electronic band structure of wurtzite materials based on the linear combination of orbital model is presented. To abtain better description of the conduction band structures, second-nearest-neighbor s and p state interaction are included. We suggest that the zinc-blende InN has a direct band gap of ~2 eV and an indirect band gap of ~0.7 eV located at L-points. Due to band folding effect, the wurtzite InN thus has a direct band gap of ~0.7 eV located at £F3-point.