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

dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorMaras, E.
dc.contributor.authorPizzagalli, L.
dc.contributor.authorAla-Nissilä, Tapio
dc.contributor.authorJónsson, H.
dc.contributor.departmentDepartment of Applied Physics
dc.contributor.departmentUniversité de Poitiers
dc.contributor.departmentUniversity of Iceland
dc.date.accessioned2017-10-13T10:32:59Z
dc.date.available2017-10-13T10:32:59Z
dc.date.issued2017-12-01
dc.description.abstractUnderstanding 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.description.versionPeer revieweden
dc.format.extent1-9
dc.format.mimetypeapplication/pdf
dc.identifier.citationMaras , 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 . https://doi.org/10.1038/s41598-017-12009-yen
dc.identifier.doi10.1038/s41598-017-12009-y
dc.identifier.issn2045-2322
dc.identifier.otherPURE UUID: 361a07f7-e2f7-46c2-8ccd-ee82c49da87c
dc.identifier.otherPURE ITEMURL: https://research.aalto.fi/en/publications/361a07f7-e2f7-46c2-8ccd-ee82c49da87c
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dc.identifier.otherPURE FILEURL: https://research.aalto.fi/files/15387844/s41598_017_12009_y.pdf
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/28152
dc.identifier.urnURN:NBN:fi:aalto-201710137013
dc.language.isoenen
dc.relation.ispartofseriesScientific Reportsen
dc.relation.ispartofseriesVolume 7, issue 1en
dc.rightsopenAccessen
dc.titleAtomic Scale Formation Mechanism of Edge Dislocation Relieving Lattice Strain in a GeSi overlayer on Si(001)en
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.versionpublishedVersion
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