Phosphorous–vacancy–oxygen defects in silicon

Handle URI:
http://hdl.handle.net/10754/315759
Title:
Phosphorous–vacancy–oxygen defects in silicon
Authors:
Wang, Hao; Chroneos, Alexander; Hall, D.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Sgourou, E. N.
Abstract:
Electronic structure calculations employing the hybrid functional approach are used to gain fundamental insight in the interaction of phosphorous with oxygen interstitials and vacancies in silicon. It recently has been proposed, based on a binding energy analysis, that phosphorous–vacancy–oxygen defects may form. In the present study we investigate the stability of this defect as a function of the Fermi energy for the possible charge states. Spin polarization is found to be essential for the charge neutral defect.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Wang H, Chroneos A, Hall D, Sgourou EN, Schwingenschlögl U (2013) Phosphorous-vacancy-oxygen defects in silicon. J Mater Chem A 1: 11384. doi:10.1039/c3ta12167d.
Publisher:
Royal Society of Chemistry (RSC)
Journal:
Journal of Materials Chemistry A
Issue Date:
30-Jul-2013
DOI:
10.1039/c3ta12167d
Type:
Article
ISSN:
2050-7488; 2050-7496
Additional Links:
http://xlink.rsc.org/?DOI=c3ta12167d
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.authorHall, D.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorSgourou, E. N.en
dc.date.accessioned2014-04-13T13:03:09Z-
dc.date.available2014-04-13T13:03:09Z-
dc.date.issued2013-07-30en
dc.identifier.citationWang H, Chroneos A, Hall D, Sgourou EN, Schwingenschlögl U (2013) Phosphorous-vacancy-oxygen defects in silicon. J Mater Chem A 1: 11384. doi:10.1039/c3ta12167d.en
dc.identifier.issn2050-7488en
dc.identifier.issn2050-7496en
dc.identifier.doi10.1039/c3ta12167den
dc.identifier.urihttp://hdl.handle.net/10754/315759en
dc.description.abstractElectronic structure calculations employing the hybrid functional approach are used to gain fundamental insight in the interaction of phosphorous with oxygen interstitials and vacancies in silicon. It recently has been proposed, based on a binding energy analysis, that phosphorous–vacancy–oxygen defects may form. In the present study we investigate the stability of this defect as a function of the Fermi energy for the possible charge states. Spin polarization is found to be essential for the charge neutral defect.en
dc.language.isoenen
dc.publisherRoyal Society of Chemistry (RSC)en
dc.relation.urlhttp://xlink.rsc.org/?DOI=c3ta12167den
dc.rightsArchived with thanks to Journal of Materials Chemistry Aen
dc.titlePhosphorous–vacancy–oxygen defects in siliconen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalJournal of Materials Chemistry Aen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionEngineering and Innovation, Open University, Milton, Keynes MK7 6AA, United Kingdomen
dc.contributor.institutionDepartment of Materials, Imperial College, London SW7 2AZ, United Kingdomen
dc.contributor.institutionDepartment of Physical Sciences, Open University, Milton Keynes MK7 6AA, United Kingdomen
dc.contributor.institutionUniversity of Athens, Solid State Physics Section, Panepistimiopolis, Zografos 157 84, Athens, Greeceen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorSchwingenschlögl, Udoen
kaust.authorWang, Hongtaoen
All Items in KAUST are protected by copyright, with all rights reserved, unless otherwise indicated.