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Core reconstructions of the 〈100〉 edge dislocation in single crystal CVD diamond
Author(s) -
Fujita N.,
Blumenau A. T.,
Jones R.,
Öberg S.,
Briddon P. R.
Publication year - 2007
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.200675444
Subject(s) - dislocation , diamond , enhanced data rates for gsm evolution , core (optical fiber) , materials science , crystallography , condensed matter physics , diamond type , crystal (programming language) , material properties of diamond , chemistry , physics , composite material , computer science , telecommunications , programming language
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)