A-centers in silicon studied with hybrid density functional theory

Handle URI:
http://hdl.handle.net/10754/314526
Title:
A-centers in silicon studied with hybrid density functional theory
Authors:
Wang, Hao; Chroneos, Alexander; Londos, C. A.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Sgourou, E. N.
Abstract:
Density 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Wang 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.
Publisher:
American Institute of Physics
Journal:
Applied Physics Letters
Issue Date:
29-Jul-2013
DOI:
10.1063/1.4817012
Type:
Article
ISSN:
00036951
Additional Links:
http://scitation.aip.org/content/aip/journal/apl/103/5/10.1063/1.4817012
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorWang, Haoen
dc.contributor.authorChroneos, Alexanderen
dc.contributor.authorLondos, C. A.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorSgourou, E. N.en
dc.date.accessioned2014-03-23T07:43:37Z-
dc.date.available2014-03-23T07:43:37Z-
dc.date.issued2013-07-29en
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.en
dc.identifier.issn00036951en
dc.identifier.doi10.1063/1.4817012en
dc.identifier.urihttp://hdl.handle.net/10754/314526en
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.en
dc.language.isoenen
dc.publisherAmerican Institute of Physicsen
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/103/5/10.1063/1.4817012en
dc.rightsArchived with thanks to Applied Physics Lettersen
dc.titleA-centers in silicon studied with hybrid density functional theoryen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalApplied Physics Lettersen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionMaterials Engineering, Open University, Milton Keynes MK7 6AA, United Kingdomen
dc.contributor.institutionDepartment of Materials, Imperial College, London SW7 2AZ, United Kingdomen
dc.contributor.institutionUniversity of Athens, Solid State Physics Section, Panepistimiopolis Zografos, Athens 157 84, Greeceen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorWang, Haoen
kaust.authorSchwingenschlögl, Udoen
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