Glide dislocations in diamond: first-principles calculations of similarities with and differences from silicon and the effects of hydrogen

M I Heggie, C P Ewels, N Martsinovich, S Scarle , R Jones, J P Goss, B Hourahine, P R Briddon

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

We review first-principles calculations of dislocation core structure in diamond, and draw out similarities with and differences from silicon. Primary differences are in hybridization changes in carbon and in the different behaviour of H interacting with dislocations. In both materials, condensation of a homogeneous distribution of H atoms should result, first, in formation of small H aggregates with the appearance of a glide dislocation dipole and, second, in formation of larger platelets based on the half-stacking-fault model.
Original languageEnglish
Pages (from-to)12689-12696
Number of pages8
JournalJournal of Physics: Condensed Matter
Volume14
Issue number48
DOIs
Publication statusPublished - 22 Nov 2002

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