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Many commonly used nearest neighbor tight binding models for cubicsemiconductors often result in inaccurate band structures when transferred tohexagonal polytypes. The resulting bandgaps are systematically too small, andin some cases calculations may erroneously predict a metal for the wurtzitepolytype. We have calculated a set of $\rm spds^*$ tight binding parameters forthe hexagonal phases of non-nitride III-V and group V semiconductors fit toexperimental data and empirical pseudopotential calculations. Our fittingprocedure constrains the parameters to be as close as possible to those for thecubic polytype so as to make the the parameters maximally transferable. Ourparameters, when combined with the existing cubic parameters, provide a modelsuitable for modeling the electronic structure of polytypic heterostructurescontaining both the wurtzite and zincblende crystal phases.

Empirical Tight-Binding Parameters for Wurtzite group III-V(non-Nitride) and IV Materials