Dresden 2014 – scientific programme

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O: Fachverband Oberflächenphysik

O 60: Graphene: Electronic Properties (O jointly with DS, HL, MA, TT)

O 60.11: Talk

Wednesday, April 2, 2014, 18:30–18:45, WIL C107

Exchange coupling between 3d-transition metal adatoms and Ni(111) mediated by graphene — •Simon Fichtner, Paolo Ferriani, and Stefan Heinze — Institut für Theoretische Physik und Astrophysik, Christian-Albrecht-Universität zu Kiel, D-24098 Kiel, Germany

Recently, 3d-transition metal (TM) adatoms on graphene have been intensively studied both experimentally (e.g. [1]) and theoretically (e.g. [2]). However, the possibility to stabilize their magnetic moment by exchange coupling to an underlying magnetic substrate has received little attention so far. Graphene on Ni(111) is a very good candidate in this respect as it has been experimentally shown to grow pseudomorphically. Here, we determine the electronic and magnetic properties of 3d-TM adatoms adsorbed on graphene on Ni(111) based on density functional theory as implemented in the VASP code. We perform a systematic study on the dependence of the exchange interaction across the 3d-TM series and take local correlations into account using the DFT+U formalism. We demonstrate the essential influence of the alignment of the adatoms 3d-states with the spin-polarized graphene states on the magnetic coupling with the Ni surface.
[1] Eelbo et al., Phys. Rev. Lett. 110, 136804, 2013
[2] Wehling et al., Phys. Rev. B 84, 235110, 2011