Ab‐initio tight‐binding study of the core structures of the c ‐edge dislocation in wurtzite GaN

Abstract

AbstractIn the framework of ab‐initio tight‐binding methods, we modelled and studied the atomic and electronic core structures of the c‐edge basal dislocation in wurtzite GaN. We found this dislocation to have four core configurations displaying 5/8/5‐ or 4/8‐atom rings structures. All these configurations induce unfilled deep states in the top half of band gap. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)