VV and VO2 defects in silicon studied with hybrid density functional theory

Handle URI:
http://hdl.handle.net/10754/575625
Title:
VV and VO2 defects in silicon studied with hybrid density functional theory
Authors:
Christopoulos, Stavros Richard G; Wang, Hao; Chroneos, Alexander I.; Londos, Charalampos A.; Sgourou, Efstratia N.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
The formation of VO (A-center), VV and VO2 defects in irradiated Czochralski-grown silicon (Si) is of technological importance. Recent theoretical studies have examined the formation and charge states of the A-center in detail. Here we use density functional theory employing hybrid functionals to analyze the formation of VV and VO2 defects. The formation energy as a function of the Fermi energy is calculated for all possible charge states. For the VV and VO2 defects double negatively charged and neutral states dominate, respectively.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Springer Nature
Journal:
Journal of Materials Science: Materials in Electronics
Issue Date:
7-Dec-2014
DOI:
10.1007/s10854-014-2576-9
Type:
Article
ISSN:
09574522
Sponsors:
Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorChristopoulos, Stavros Richard Gen
dc.contributor.authorWang, Haoen
dc.contributor.authorChroneos, Alexander I.en
dc.contributor.authorLondos, Charalampos A.en
dc.contributor.authorSgourou, Efstratia N.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-24T08:34:28Zen
dc.date.available2015-08-24T08:34:28Zen
dc.date.issued2014-12-07en
dc.identifier.issn09574522en
dc.identifier.doi10.1007/s10854-014-2576-9en
dc.identifier.urihttp://hdl.handle.net/10754/575625en
dc.description.abstractThe formation of VO (A-center), VV and VO2 defects in irradiated Czochralski-grown silicon (Si) is of technological importance. Recent theoretical studies have examined the formation and charge states of the A-center in detail. Here we use density functional theory employing hybrid functionals to analyze the formation of VV and VO2 defects. The formation energy as a function of the Fermi energy is calculated for all possible charge states. For the VV and VO2 defects double negatively charged and neutral states dominate, respectively.en
dc.description.sponsorshipResearch reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).en
dc.publisherSpringer Natureen
dc.titleVV and VO2 defects in silicon studied with hybrid density functional theoryen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalJournal of Materials Science: Materials in Electronicsen
dc.contributor.institutionSolid State Physics Section, University of Athens, Panepistimiopolis ZografosAthens, Greeceen
dc.contributor.institutionFaculty of Engineering and Computing, Coventry UniversityCoventry, United Kingdomen
dc.contributor.institutionDepartment of Materials, Imperial CollegeLondon, United Kingdomen
kaust.authorWang, Haoen
kaust.authorSchwingenschlögl, Udoen
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