First-principles study of He in Si

dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorAlatalo, M.
dc.contributor.authorPuska, M. J.
dc.contributor.authorNieminen, R. M.
dc.contributor.departmentDepartment of Applied Physics
dc.date.accessioned2018-05-22T14:33:07Z
dc.date.available2018-05-22T14:33:07Z
dc.date.issued1992-11-15
dc.description.abstractWe have performed first-principles calculations for He atoms in a Si lattice. From dynamic total-energy minimization we obtain the relaxations of the Si atoms around the impurity and the corresponding total energies. The calculated heat of solution and the diffusion constant of He in Si are in good agreement with experiment. There is a net attraction between two tetrahedral He interstitials, leading to a binding energy of 0.08 eV for He atoms at neighboring interstices. On the other hand, Si vacancies are found not to trap He atoms. The consequences of these results to He-bubble nucleation and growth are discussed.en
dc.description.versionPeer revieweden
dc.format.extent4
dc.format.extent12806-12809
dc.format.mimetypeapplication/pdf
dc.identifier.citationAlatalo , M , Puska , M J & Nieminen , R M 1992 , ' First-principles study of He in Si ' , Physical Review B , vol. 46 , no. 19 , pp. 12806-12809 . https://doi.org/10.1103/PhysRevB.46.12806en
dc.identifier.doi10.1103/PhysRevB.46.12806
dc.identifier.issn0163-1829
dc.identifier.issn1550-235X
dc.identifier.otherPURE UUID: 365cc634-4d14-4f0b-a58e-f5407d6e1537
dc.identifier.otherPURE ITEMURL: https://research.aalto.fi/en/publications/365cc634-4d14-4f0b-a58e-f5407d6e1537
dc.identifier.otherPURE LINK: http://www.scopus.com/inward/record.url?scp=0001757511&partnerID=8YFLogxK
dc.identifier.otherPURE FILEURL: https://research.aalto.fi/files/14681373/PhysRevB.46.12806.pdf
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/30844
dc.identifier.urnURN:NBN:fi:aalto-201805222284
dc.language.isoenen
dc.relation.ispartofseriesPhysical Review Ben
dc.relation.ispartofseriesVolume 46, issue 19en
dc.rightsopenAccessen
dc.titleFirst-principles study of He in Sien
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.versionpublishedVersion

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