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dc.contributor.authorGoumri-Said, Souraya
dc.contributor.authorKanoun, Mohammed
dc.contributor.authorManchon, Aurelien
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2014-04-13T12:12:10Z
dc.date.available2014-04-13T12:12:10Z
dc.date.issued2013-01-04
dc.identifier.citationGoumri-Said S, Benali Kanoun M, Manchon A, Schwingenschlögl U (2013) Spin-polarization reversal at the interface between benzene and Fe(100). Journal of Applied Physics 113: 013905. doi:10.1063/1.4772610.
dc.identifier.issn00218979
dc.identifier.doi10.1063/1.4772610
dc.identifier.urihttp://hdl.handle.net/10754/315737
dc.description.abstractThe spin-polarization at the interface between Fe(100) and a benzene is investigated theoretically using density functional theory for two positions of the organic molecule: planar and perpendicular with respect to the substrate. The electronic and magnetic properties as well as the spin-polarization close to the Fermi level strongly depend on the benzene position on the iron surface. An inversion of the spin-polarization is induced by p-d hybridization and charge transfer from the iron to the carbon sites in both configurations.
dc.language.isoen
dc.publisherAIP Publishing
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/jap/113/1/10.1063/1.4772610
dc.rightsArchived with thanks to Journal of Applied Physics
dc.titleSpin-polarization reversal at the interface between benzene and Fe(100)
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.contributor.departmentSpintronics Theory Group
dc.identifier.journalJournal of Applied Physics
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionInstitut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrae 30, D-48149 Münster, Germany
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personGoumri-Said, Souraya
kaust.personKanoun, Mohammed
kaust.personManchon, Aurelien
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-14T04:16:53Z
dc.date.published-online2013-01-04
dc.date.published-print2013-01-07


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