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

Lookup NU author(s): Professor Jon Goss, Professor Patrick Briddon

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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.

Publication metadata

Author(s): Briddon PR; Goss JP; Heggie MI; Ewels CP; Martsinovich N; Scarle S; Jones R; Hourahine B

Publication type: Article

Publication status: Published

Journal: Journal of Physics: Condensed Matter

Year: 2002

Volume: 14

Issue: 48

Pages: 12689-12696

ISSN (print): 0953-8984

ISSN (electronic): 1361-648X

Publisher: Institute of Physics Publishing Ltd.

URL: http://dx.doi.org/10.1088/0953-8984/14/48/304

DOI: 10.1088/0953-8984/14/48/304

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