Atomic Scale Formation Mechanism of Edge Dislocation Relieving Lattice Strain in a GeSi overlayer on Si(001)

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Maras, E.
dc.contributor.author Pizzagalli, L.
dc.contributor.author Ala-Nissilä, Tapio
dc.contributor.author Jónsson, H.
dc.date.accessioned 2017-10-13T10:32:59Z
dc.date.available 2017-10-13T10:32:59Z
dc.date.issued 2017-12-01
dc.identifier.citation Maras , E , Pizzagalli , L , Ala-Nissilä , T & Jónsson , H 2017 , ' Atomic Scale Formation Mechanism of Edge Dislocation Relieving Lattice Strain in a GeSi overlayer on Si(001) ' Scientific Reports , vol 7 , no. 1 , 11966 , pp. 1-9 . DOI: 10.1038/s41598-017-12009-y en
dc.identifier.issn 2045-2322
dc.identifier.other PURE UUID: 361a07f7-e2f7-46c2-8ccd-ee82c49da87c
dc.identifier.other PURE ITEMURL: https://research.aalto.fi/en/publications/atomic-scale-formation-mechanism-of-edge-dislocation-relieving-lattice-strain-in-a-gesi-overlayer-on-si001(361a07f7-e2f7-46c2-8ccd-ee82c49da87c).html
dc.identifier.other PURE LINK: http://www.scopus.com/inward/record.url?scp=85029658082&partnerID=8YFLogxK
dc.identifier.other PURE FILEURL: https://research.aalto.fi/files/15387844/s41598_017_12009_y.pdf
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/28152
dc.description.abstract Understanding how edge misfit dislocations (MDs) form in a GeSi/Si(001) film has been a long standing issue. The challenge is to find a mechanism accounting for the presence of these dislocations at the interface since they are not mobile and cannot nucleate at the surface and glide towards the interface. Furthermore, experiments can hardly detect the nucleation and early stages of growth because of the short time scale involved. Here we present the first semi-quantitative atomistic calculation of the formation of edge dislocations in such films. We use a global optimization method and density functional theory calculations, combined with computations using potential energy functions to identify the best mechanisms. We show that those previously suggested are relevant only for a low film strain and we propose a new mechanism which accounts for the formation of edge dislocations at high film strain. In this one, a 60° MD nucleates as a "split" half-loop with two branches gliding on different planes. One branchbelongs to the glide plane of a complementary 60° MD and therefore strongly favors the formation of the complementary MD which is immediately combined with the first MD to form an edge MD. en
dc.format.extent 1-9
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries Scientific Reports en
dc.relation.ispartofseries Volume 7, issue 1 en
dc.rights openAccess en
dc.subject.other General en
dc.subject.other 114 Physical sciences en
dc.title Atomic Scale Formation Mechanism of Edge Dislocation Relieving Lattice Strain in a GeSi overlayer on Si(001) en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Department of Applied Physics
dc.contributor.department Universite de Poitiers
dc.contributor.department University of Iceland
dc.subject.keyword General
dc.subject.keyword 114 Physical sciences
dc.identifier.urn URN:NBN:fi:aalto-201710137013
dc.identifier.doi 10.1038/s41598-017-12009-y
dc.type.version publishedVersion


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