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We have performed first-principles calculation to investigate the magnetic exchange interactions of 3-D transition metals (TMs) adatoms on graphene. Our study found that the most stable adsorption sites and geometries of different 3-D TM dimmer adatoms on graphene are obviously distinct. The obtained magnetic exchange energies indicate that Fe and Co adatoms on graphenes are always ferromagnetic coupling. Thus, they may be a candidate of graphene-based spintronics devices. Furthermore, electronic structure analysis shows that mechanism of ferromagnetic interaction of 3-D TMs adatoms on graphene is either direct exchange (two TMs adatoms are on the same side of graphene) or superexchange (two TMs adatoms are on the two sides of graphene).
Date of Publication: Oct. 2011