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Interaction of vacancies with partial dislocations in silicon
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0002-1655-6658
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
1997 (English)In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 56, no 20, p. R12706-R12709Article in journal (Refereed) Published
Abstract [en]

The interaction of vacancies with 30° and 90° partial dislocations in silicon is examined. In particular, the structures and binding energies are calculated using hydrogen-terminated clusters and local density-functional theory. Moreover the electronic structure is determined using supercells containing dislocation dipoles. Vacancies are found to have binding energies of approximately 2.0 eV and 0.9 eV to 90° and 30° partials, respectively. The elastic strain field of the partials makes the fourfold vacancy reconstruct, which essentially clears the fundamental gap

Place, publisher, year, edition, pages
1997. Vol. 56, no 20, p. R12706-R12709
National Category
Other Physics Topics Computational Mathematics
Research subject
Fysik; Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-3985DOI: 10.1103/PhysRevB.56.R12706Local ID: 1d6a70c0-bb59-11db-b560-000ea68e967bOAI: oai:DiVA.org:ltu-3985DiVA, id: diva2:976847
Note

Godkänd; 1997; 20070131 (cira)

Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2018-03-05Bibliographically approved

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Lehto, NiklasÖberg, Sven

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