Spin-polarization reversal at the interface between benzene and Fe(100)

Handle URI:
http://hdl.handle.net/10754/315737
Title:
Spin-polarization reversal at the interface between benzene and Fe(100)
Authors:
Goumri-Said, Souraya; Benali Kanoun, Mohammed; Manchon, Aurelien ( 0000-0002-4768-293X ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
The 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Goumri-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.
Publisher:
AIP Publishing
Journal:
Journal of Applied Physics
Issue Date:
3-Jan-2013
DOI:
10.1063/1.4772610
Type:
Article
ISSN:
00218979
Additional Links:
http://scitation.aip.org/content/aip/journal/jap/113/1/10.1063/1.4772610
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorGoumri-Said, Sourayaen
dc.contributor.authorBenali Kanoun, Mohammeden
dc.contributor.authorManchon, Aurelienen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2014-04-13T12:12:10Z-
dc.date.available2014-04-13T12:12:10Z-
dc.date.issued2013-01-03en
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.en
dc.identifier.issn00218979en
dc.identifier.doi10.1063/1.4772610en
dc.identifier.urihttp://hdl.handle.net/10754/315737en
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.en
dc.language.isoenen
dc.publisherAIP Publishingen
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/jap/113/1/10.1063/1.4772610en
dc.rightsArchived with thanks to Journal of Applied Physicsen
dc.titleSpin-polarization reversal at the interface between benzene and Fe(100)en
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalJournal of Applied Physicsen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionInstitut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrae 30, D-48149 Münster, Germanyen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorGoumri-Said, Sourayaen
kaust.authorKanoun, Mohammeden
kaust.authorManchon, Aurelienen
kaust.authorSchwingenschlögl, Udoen
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