First-principles study of He in Si
dc.contributor | Aalto-yliopisto | fi |
dc.contributor | Aalto University | en |
dc.contributor.author | Alatalo, M. | |
dc.contributor.author | Puska, M. J. | |
dc.contributor.author | Nieminen, R. M. | |
dc.contributor.department | Department of Applied Physics | |
dc.date.accessioned | 2018-05-22T14:33:07Z | |
dc.date.available | 2018-05-22T14:33:07Z | |
dc.date.issued | 1992-11-15 | |
dc.description.abstract | We 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.version | Peer reviewed | en |
dc.format.extent | 4 | |
dc.format.extent | 12806-12809 | |
dc.format.mimetype | application/pdf | |
dc.identifier.citation | Alatalo , 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.46.12806 | en |
dc.identifier.doi | 10.1103/PhysRevB.46.12806 | |
dc.identifier.issn | 0163-1829 | |
dc.identifier.issn | 1550-235X | |
dc.identifier.other | PURE UUID: 365cc634-4d14-4f0b-a58e-f5407d6e1537 | |
dc.identifier.other | PURE ITEMURL: https://research.aalto.fi/en/publications/365cc634-4d14-4f0b-a58e-f5407d6e1537 | |
dc.identifier.other | PURE LINK: http://www.scopus.com/inward/record.url?scp=0001757511&partnerID=8YFLogxK | |
dc.identifier.other | PURE FILEURL: https://research.aalto.fi/files/14681373/PhysRevB.46.12806.pdf | |
dc.identifier.uri | https://aaltodoc.aalto.fi/handle/123456789/30844 | |
dc.identifier.urn | URN:NBN:fi:aalto-201805222284 | |
dc.language.iso | en | en |
dc.relation.ispartofseries | Physical Review B | en |
dc.relation.ispartofseries | Volume 46, issue 19 | en |
dc.rights | openAccess | en |
dc.title | First-principles study of He in Si | en |
dc.type | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä | fi |
dc.type.version | publishedVersion |