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dc.contributor.authorTahini, H. A.
dc.contributor.authorChroneos, Alexander
dc.contributor.authorGrimes, R. W.
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2014-04-13T12:24:38Z
dc.date.available2014-04-13T12:24:38Z
dc.date.issued2011-10-18
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.
dc.identifier.issn00036951
dc.identifier.doi10.1063/1.3653472
dc.identifier.urihttp://hdl.handle.net/10754/315750
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.
dc.language.isoen
dc.publisherAIP Publishing
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/99/16/10.1063/1.3653472
dc.rightsArchived with thanks to Applied Physics Letters
dc.titleDiffusion of tin in germanium: A GGA+U approach
dc.typeArticle
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.identifier.journalApplied Physics Letters
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionDepartment of Materials, Imperial College London, London SW7 2AZ, United Kingdom
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-14T04:00:53Z


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