Diffusion of E centers in germanium predicted using GGA+U approach

Handle URI:
http://hdl.handle.net/10754/315741
Title:
Diffusion of E centers in germanium predicted using GGA+U approach
Authors:
Tahini, H. A.; Bracht, H.; Chroneos, Alexander; Grimes, R. W.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
Density functional theory calculations (based on GGA+U approach) are used to investigate the formation and diffusion of donor-vacancy pairs (E centers) in germanium. We conclude that depending upon the Fermi energy,E centers that incorporate for phosphorous and arsenic can form in their neutral, singly negatively or doubly negatively charged states whereas with antimony only the neutral or doubly negatively charged states are predicted. The activation energies of diffusion are compared with recent experimental work and support the idea that smaller donor atoms exhibit higher diffusionactivation energies.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Tahini H, Chroneos A, Grimes RW, Schwingenschlögl U, Bracht H (2011) Diffusion of E centers in germanium predicted using GGA+U approach. Appl Phys Lett 99: 072112. doi:10.1063/1.3625939.
Publisher:
American Institute of Physics
Journal:
Applied Physics Letters
Issue Date:
17-Aug-2011
DOI:
10.1063/1.3625939
Type:
Article
ISSN:
00036951
Additional Links:
http://scitation.aip.org/content/aip/journal/apl/99/7/10.1063/1.3625939
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.authorBracht, H.en
dc.contributor.authorChroneos, Alexanderen
dc.contributor.authorGrimes, R. W.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2014-04-13T12:18:56Z-
dc.date.available2014-04-13T12:18:56Z-
dc.date.issued2011-08-17en
dc.identifier.citationTahini H, Chroneos A, Grimes RW, Schwingenschlögl U, Bracht H (2011) Diffusion of E centers in germanium predicted using GGA+U approach. Appl Phys Lett 99: 072112. doi:10.1063/1.3625939.en
dc.identifier.issn00036951en
dc.identifier.doi10.1063/1.3625939en
dc.identifier.urihttp://hdl.handle.net/10754/315741en
dc.description.abstractDensity functional theory calculations (based on GGA+U approach) are used to investigate the formation and diffusion of donor-vacancy pairs (E centers) in germanium. We conclude that depending upon the Fermi energy,E centers that incorporate for phosphorous and arsenic can form in their neutral, singly negatively or doubly negatively charged states whereas with antimony only the neutral or doubly negatively charged states are predicted. The activation energies of diffusion are compared with recent experimental work and support the idea that smaller donor atoms exhibit higher diffusionactivation energies.en
dc.language.isoenen
dc.publisherAmerican Institute of Physicsen
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/99/7/10.1063/1.3625939en
dc.rightsArchived with thanks to Applied Physics Lettersen
dc.titleDiffusion of E centers in germanium predicted using 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.institutionDepartment of Materials Science and Metallurgy, University of Cambridge, Cambridge CB2 3QZ, United Kingdomen
dc.contributor.institutionInstitute of Materials Physics, University of Münster, Wilhelm-Klemm-Strasse 10, Münster D-48149, Germanyen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorSchwingenschlögl, Udoen
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