2013

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

Spin-polarization reversal at the interface between benzene and Fe(100)
S. Goumri-Said, M.B. Kanoun, A. Manchon, U. Schwingenschlogl
Journal of Applied Physics 113, 013905 (2013)​​​​​​​
S. Goumri-Said, M.B. Kanoun, A. Manchon, U. Schwingenschlogl
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2013
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.