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dc.contributor.authorWang, Hao
dc.contributor.authorChroneos, Alexander
dc.contributor.authorLondos, C. A.
dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorSgourou, E. N.
dc.date.accessioned2014-03-23T07:43:37Z
dc.date.available2014-03-23T07:43:37Z
dc.date.issued2013-07-29
dc.identifier.citationWang H, Chroneos A, Londos CA, Sgourou EN, Schwingenschlögl U (2013) A-centers in silicon studied with hybrid density functional theory. Appl Phys Lett 103: 052101. doi:10.1063/1.4817012.
dc.identifier.issn00036951
dc.identifier.doi10.1063/1.4817012
dc.identifier.urihttp://hdl.handle.net/10754/314526
dc.description.abstractDensity functional theory employing hybrid functional is used to gain fundamental insight into the interaction of vacancies with oxygen interstitials to form defects known as A-centers in silicon. We calculate the formation energy of the defect with respect to the Fermi energy for all possible charge states. It is found that the neutral and doubly negatively charged A-centers dominate. The findings are analyzed in terms of the density of states and discussed in view of previous experimental and theoretical studies.
dc.language.isoen
dc.publisherAIP Publishing
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/103/5/10.1063/1.4817012
dc.rightsArchived with thanks to Applied Physics Letters
dc.titleA-centers in silicon studied with hybrid density functional theory
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalApplied Physics Letters
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionMaterials Engineering, Open University, Milton Keynes MK7 6AA, United Kingdom
dc.contributor.institutionDepartment of Materials, Imperial College, London SW7 2AZ, United Kingdom
dc.contributor.institutionUniversity of Athens, Solid State Physics Section, Panepistimiopolis Zografos, Athens 157 84, Greece
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personWang, Hao
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-14T03:23:04Z


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