Dissociation of the 60° basal dislocation in wurtzite GaN

Abstract

AbstractWe have carried out atomistic calculations, using a self‐consistent tight‐binding method based on density functional theory, to determine formation energies of different core configurations of the perfect 60° and 90°, 30° Shockley partial dislocations in wurtzite GaN. Our analysis of different combinations of core configurations concluded that a 60° dislocation with a Ga polarity dissociates into a 90° partial dislocation with a single period and a 30° partial dislocation with a double period structure. Otherwise, a N polarity 60° dislocation dissociates into a 90° partial dislocation with a double period and a 30° partial dislocation with a single period structure (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)