Spin-polarization reversal at the interface between benzene and Fe(100)
KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
Computational Physics and Materials Science (CPMS)
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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.
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.
JournalJournal of Applied Physics