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

Souraya Goumri-Said, Mohammed Kanoun, Aurelien Manchon, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

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.
Original languageEnglish (US)
Pages (from-to)013905
JournalJournal of Applied Physics
Volume113
Issue number1
DOIs
StatePublished - Jan 4 2013

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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