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Energetics of positron states trapped at vacancies in solids

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Makkonen, I.
dc.contributor.author Puska, Martti J.
dc.date.accessioned 2015-09-17T09:01:30Z
dc.date.available 2015-09-17T09:01:30Z
dc.date.issued 2007
dc.identifier.citation Makkonen, I. & Puska, Martti J. 2007. Energetics of positron states trapped at vacancies in solids. Physical Review B. Volume 76, Issue 5. 054119/1-10. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.76.054119. en
dc.identifier.issn 1550-235X (electronic)
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/17679
dc.description.abstract We report a computational first-principles study of positron trapping at vacancy defects in metals and semiconductors. The main emphasis is on the energetics of the trapping process including the interplay between the positron state and the defect’s ionic structure and on the ensuing annihilation characteristics of the trapped state. For vacancies in covalent semiconductors the ion relaxation is a crucial part of the positron trapping process enabling the localization of the positron state. However, positron trapping does not strongly affect the characteristic features of the electronic structure, e.g., the ionization levels change only moderately. Also, in the case of metal vacancies, the positron-induced ion relaxation has a noticeable effect on the calculated positron lifetime and momentum distribution of annihilating electron-positron pairs. en
dc.format.extent 054119/1-10
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Physical Society (APS) en
dc.relation.ispartofseries Physical Review B en
dc.relation.ispartofseries Volume 76, Issue 5
dc.rights © 2007 American Physical Society (APS). This is the accepted version of the following article: Makkonen, I. & Puska, Martti J. 2007. Energetics of positron states trapped at vacancies in solids. Physical Review B. Volume 76, Issue 5. 054119/1-10. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.76.054119, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.76.054119. en
dc.subject.other Physics en
dc.title Energetics of positron states trapped at vacancies in solids en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.rights.holder American Physical Society (APS)
dc.contributor.school Perustieteiden korkeakoulu fi
dc.contributor.school School of Science en
dc.contributor.department Teknillisen fysiikan laitos fi
dc.contributor.department Department of Applied Physics en
dc.subject.keyword positron states en
dc.subject.keyword density functional theory en
dc.subject.keyword positron annihilation en
dc.identifier.urn URN:NBN:fi:aalto-201509164282
dc.type.dcmitype text en
dc.identifier.doi 10.1103/physrevb.76.054119
dc.type.version Final published version en


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