Spin-density study of the silicon divacancy

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dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorPesola, M.
dc.contributor.authorvon Boehm, J.
dc.contributor.authorPöykkö, S.
dc.contributor.authorNieminen, Risto M.
dc.contributor.departmentTeknillisen fysiikan laitosfi
dc.contributor.departmentDepartment of Applied Physicsen
dc.contributor.schoolPerustieteiden korkeakoulufi
dc.contributor.schoolSchool of Scienceen
dc.date.accessioned2015-08-12T09:01:57Z
dc.date.available2015-08-12T09:01:57Z
dc.date.issued1998
dc.description.abstractThe possible charge states of the silicon divacancy V2 are studied using the local spin-density pseudopotential method. The ionic coordinates are relaxed without any symmetry constraints. We obtain the formation and binding energies as well as the ionization levels from total-energy calculations and use them to discuss several experiments. We find using the 216-atom-site supercell that V02 and V−2 have a “mixed” structure that includes both pairing and resonant-bond characters, V02 being more of the pairing type and V−2 more of the resonant-bond type.en
dc.description.versionPeer revieweden
dc.format.extent1106-1109
dc.format.mimetypeapplication/pdfen
dc.identifier.citationPesola, M. & von Boehm, J. & Pöykkö, S. & Nieminen, Risto M. 1998. Spin-density study of the silicon divacancy. Physical Review B. Volume 58, Issue 3. 1106-1109. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.58.1106.en
dc.identifier.doi10.1103/physrevb.58.1106
dc.identifier.issn1550-235X (electronic)
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/17392
dc.identifier.urnURN:NBN:fi:aalto-201508124004
dc.language.isoenen
dc.publisherAmerican Physical Society (APS)en
dc.relation.ispartofseriesPhysical Review Ben
dc.relation.ispartofseriesVolume 58, Issue 3
dc.rights© 1998 American Physical Society (APS). This is the accepted version of the following article: Pesola, M. & von Boehm, J. & Pöykkö, S. & Nieminen, Risto M. 1998. Spin-density study of the silicon divacancy. Physical Review B. Volume 58, Issue 3. 1106-1109. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.58.1106, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.58.1106.en
dc.rights.holderAmerican Physical Society (APS)
dc.subject.keywordsilicon divacancyen
dc.subject.keywordcharge statesen
dc.subject.otherPhysicsen
dc.titleSpin-density study of the silicon divacancyen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.dcmitypetexten
dc.type.versionFinal published versionen
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