Diffusion of tin in germanium: A GGA+U approach

Handle URI:
http://hdl.handle.net/10754/315750
Title:
Diffusion of tin in germanium: A GGA+U approach
Authors:
Tahini, H. A.; Chroneos, Alexander; Grimes, R. W.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
Density functional theory calculations are used to investigate the formation and diffusion of tin-vacancy pairs (SnV) in germanium(Ge). Depending upon the Fermi energy, SnV pairs can form in neutral, singly negative, or doubly negative charged states. The activation energies of diffusion, also as function of the Fermi energy, are calculated to lie between 2.48-3.65 eV, in agreement with and providing an interpretation of available experimental work.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Tahini H, Chroneos A, Grimes RW, Schwingenschlögl U (2011) Diffusion of tin in germanium: A GGA+U approach. Appl Phys Lett 99: 162103. doi:10.1063/1.3653472.
Publisher:
AIP Publishing
Journal:
Applied Physics Letters
Issue Date:
18-Oct-2011
DOI:
10.1063/1.3653472
Type:
Article
ISSN:
00036951
Additional Links:
http://scitation.aip.org/content/aip/journal/apl/99/16/10.1063/1.3653472
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorTahini, H. A.en
dc.contributor.authorChroneos, Alexanderen
dc.contributor.authorGrimes, R. W.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2014-04-13T12:24:38Z-
dc.date.available2014-04-13T12:24:38Z-
dc.date.issued2011-10-18en
dc.identifier.citationTahini H, Chroneos A, Grimes RW, Schwingenschlögl U (2011) Diffusion of tin in germanium: A GGA+U approach. Appl Phys Lett 99: 162103. doi:10.1063/1.3653472.en
dc.identifier.issn00036951en
dc.identifier.doi10.1063/1.3653472en
dc.identifier.urihttp://hdl.handle.net/10754/315750en
dc.description.abstractDensity functional theory calculations are used to investigate the formation and diffusion of tin-vacancy pairs (SnV) in germanium(Ge). Depending upon the Fermi energy, SnV pairs can form in neutral, singly negative, or doubly negative charged states. The activation energies of diffusion, also as function of the Fermi energy, are calculated to lie between 2.48-3.65 eV, in agreement with and providing an interpretation of available experimental work.en
dc.language.isoenen
dc.publisherAIP Publishingen
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/99/16/10.1063/1.3653472en
dc.rightsArchived with thanks to Applied Physics Lettersen
dc.titleDiffusion of tin in germanium: A GGA+U approachen
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.institutionDepartment of Materials, Imperial College London, London SW7 2AZ, United Kingdomen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorSchwingenschlögl, Udoen
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