A simple theoretical method for calculating electronic band structures of wurtzite materials based on the bond-orbital models is presented. This method can be used to study many problems such as band mixing and effects of external fields (electric field, magnetic field, and unaxial stress, etc.), since it can reproduce fairly accurate lowest conduction-band and top three valence-band structures. This method is very similar to LCAO method; however, it is much simpler and requires less computational effort than LCAO method.

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.