Show simple item record

dc.contributor.authorTahini, H. A.*
dc.contributor.authorBracht, H.*
dc.contributor.authorChroneos, Alexander*
dc.contributor.authorGrimes, R. W.*
dc.contributor.authorSchwingenschlögl, Udo*
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.publisherAIP Publishingen
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) Division*
dc.contributor.departmentComputational Physics and Materials Science (CPMS)*
dc.identifier.journalApplied Physics Lettersen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionDepartment of Materials, Imperial College London, London SW7 2AZ, United Kingdom*
dc.contributor.institutionDepartment of Materials Science and Metallurgy, University of Cambridge, Cambridge CB2 3QZ, United Kingdom*
dc.contributor.institutionInstitute of Materials Physics, University of Münster, Wilhelm-Klemm-Strasse 10, Münster D-48149, Germany*
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)*
kaust.authorSchwingenschlögl, Udo*
refterms.dateFOA2018-06-14T04:00:50Z


Files in this item

Thumbnail
Name:
Diffusion of E centers in germanium ...
Size:
790.3Kb
Format:
PDF

This item appears in the following Collection(s)

Show simple item record