Tight binding modelling of electronic band structure in conventional InGaN/GaN and dilute GaAsN/GaAs nitride heterostructures

Abstract

AbstractWe utilize a semi‐empirical sp3s * tight binding model to investigate the strain and composition effects on electronic structure of conventional InGaN/GaN and dilute GaAsN/GaAs cubic nitride heterostructures. The model includes the second nearest neighbor (2NN) atomic interactions, spin‐orbit splitting and nonlinear composition variation of atomic energies and bond lengths of ternaries. Results show that band gaps of conventional InGaN increase with composition for 0 < x < 1. However, the Γ band gap of dilute GaAsN decreases with composition for x < 0.25 and then starts to increase for 0.26 < x < 1. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)