Tight binding modeling of electronic properties of III‐V based heterostructures

Abstract

AbstractIn this work, we present second nearest neighbour (2NN) sp3s* and nearest neighbour (NN) sp3d5s* tight binding calculations, with spin‐orbit coupling to calculate the composition, temperature, pressure and strain effects on the electronic properties (e.g., band structure, density of states, band gaps and band widths) of GaAs, GaP, GaAN and AlN III‐V binaries and ternary GaPN. The results are compared with those of density functional theory for GaN. Our results are in good agreement with experiment for fundamental band gaps and electron effective masses. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)