Tight binding modelling of band offsets in GaN and ZnSe based heterostructures

Abstract

AbstractWe present a new nonorthogonal sp3 tight binding model to study the band offsets of widegap heterostructures as a function of interface strain due to external pressure and lattice mismatch and thermal expansion gradient. As examples we discuss the GaN and ZnSe based heterostructures, because their properties are important for optoelectronic applications. Good agreement is found between theory and experiment for valence band offsets of various heterostructures at T = 300 K.