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dc.contributor.authorWang, H.
dc.contributor.authorChroneos, A.
dc.contributor.authorLondos, C. A.
dc.contributor.authorSgourou, E. N.
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2015-05-04T16:11:34Z
dc.date.available2015-05-04T16:11:34Z
dc.date.issued2014-05-14
dc.identifier.citationG-centers in irradiated silicon revisited: A screened hybrid density functional theory approach 2014, 115 (18):183509 Journal of Applied Physics
dc.identifier.issn0021-8979
dc.identifier.issn1089-7550
dc.identifier.doi10.1063/1.4875658
dc.identifier.urihttp://hdl.handle.net/10754/552146
dc.description.abstractElectronic structure calculations employing screened hybrid density functional theory are used to gain fundamental insight into the interaction of carbon interstitial (Ci) and substitutional (Cs) atoms forming the CiCs defect known as G-center in silicon (Si). The G-center is one of the most important radiation related defects in Czochralski grown Si. We systematically investigate the density of states and formation energy for different types of CiCs defects with respect to the Fermi energy for all possible charge states. Prevalence of the neutral state for the C-type defect is established.
dc.publisherAIP Publishing
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/jap/115/18/10.1063/1.4875658
dc.rightsArchived with thanks to Journal of Applied Physics
dc.titleG-centers in irradiated silicon revisited: A screened hybrid density functional theory approach
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.journalJournal of Applied Physics
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionEngineering and Innovation, The Open University, Milton Keynes MK7 6AA, United Kingdom
dc.contributor.institutionUniversity of Athens, Solid State Physics Section, Panepistimiopolis Zografos, Athens 157 84, Greece
dc.contributor.institutionUniversity of Athens, Solid State Physics Section, Panepistimiopolis Zografos, Athens 157 84, Greece
dc.contributor.institutionDepartment of Materials, Imperial College, London SW7 2AZ, United Kingdom
kaust.personWang, Hao
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2015-05-13T00:00:00Z
dc.date.published-online2014-05-14
dc.date.published-print2014-05-14


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