Stability of large vacancy clusters in silicon

dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorStaab, T.E.M.
dc.contributor.authorSieck, A.
dc.contributor.authorHaugk, M.
dc.contributor.authorPuska, Martti J.
dc.contributor.authorFrauenheim, Th.
dc.contributor.authorLeipner, H.S.
dc.contributor.departmentTeknillisen fysiikan laitosfi
dc.contributor.departmentDepartment of Applied Physicsen
dc.contributor.schoolPerustieteiden korkeakoulufi
dc.contributor.schoolSchool of Scienceen
dc.date.accessioned2015-09-18T09:01:44Z
dc.date.available2015-09-18T09:01:44Z
dc.date.issued2002
dc.description.abstractUsing a density-functional-based tight-binding method we investigate the stability of various vacancy clusters up to a size of 17 vacancies. Additionally, we compute the positron lifetimes for the most stable structures to compare them to experimental data. A simple bond-counting model is extended to take into account the formation of new bonds. This yields a very good agreement with the explicitly calculated formation energies of the relaxed structures for V6 to V14. The structures, where the vacancies form closed rings, such as V6 and V10, are especially stable against dissociation. For these structures, the calculated dissociation energies are in agreement with experimentally determined annealing temperatures and the calculated positron lifetimes are consistent with measurements.en
dc.description.versionPeer revieweden
dc.format.extent115210/1-11
dc.format.mimetypeapplication/pdfen
dc.identifier.citationStaab, T.E.M. & Sieck, A. & Haugk, M. & Puska, Martti J. & Frauenheim, Th. & Leipner, H.S. 2002. Stability of large vacancy clusters in silicon. Physical Review B. Volume 65, Issue 11. 115210/1-11. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.65.115210.en
dc.identifier.doi10.1103/physrevb.65.115210
dc.identifier.issn1550-235X (electronic)
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/17804
dc.identifier.urnURN:NBN:fi:aalto-201509174298
dc.language.isoenen
dc.publisherAmerican Physical Society (APS)en
dc.relation.ispartofseriesPhysical Review Ben
dc.relation.ispartofseriesVolume 65, Issue 11
dc.rights© 2002 American Physical Society (APS). This is the accepted version of the following article: Staab, T.E.M. & Sieck, A. & Haugk, M. & Puska, Martti J. & Frauenheim, Th. & Leipner, H.S. 2002. Stability of large vacancy clusters in silicon. Physical Review B. Volume 65, Issue 11. 115210/1-11. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.65.115210, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.65.115210.en
dc.rights.holderAmerican Physical Society (APS)
dc.subject.keywordsiliconen
dc.subject.keyworddefectsen
dc.subject.keyworddensity-functional theoryen
dc.subject.keywordpositron annihilationen
dc.subject.otherPhysicsen
dc.titleStability of large vacancy clusters in siliconen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.dcmitypetexten
dc.type.versionFinal published versionen
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