Core reconstructions of the 〈100〉 edge dislocation in single crystal CVD diamond

Abstract

Abstract Dislocations are common defects in both natural as well as in CVD‐grown diamond. Recent advances in the growth of high quality single crystal CVD diamond have led to an increased interest in the atomistic and electronic structure of 〈100〉 dislocations. These dislocations are observed as mixed‐type 45° and pure edge dislocations. Previously we investigated both types and found that the 45° is by far lower in core energy than the proposed structure of the edge type. In this work we focus on the straight 〈100〉 dislocation only and present novel core reconstructions. We find a minimum energy structure for the edge‐type dislocation which has a similar core energy as the mixed‐type dislocation. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)