Modeling Carrier Mobility in Graphene As a Sensitive Probe of Molecular Magnets

Carrier mobility in graphene on a GaAs substrate and its change due to the adsorption of molecular magnets, Mn-12 and [Mn-3](2), on the surface of graphene, is calculated from first principles. Phonon limited mobility is also calculated for comparison. For Mn-12 adsorption on graphene, the mobility is compared for different organic ligands of Mn-12 (-H, -CH3, and -CHCl2), while for [Mn-3](2) dimers, the mobility is calculated for different linkers that yield the ferromagnetic and anti-ferromagnetic configurations of [Mn-3](2), as well as for different orientations of the molecule. Significant changes in carrier mobility due to the adsorption of the molecules and due to differences in linkers suggest mobility measurement as a possible sensitive probe of magnetic molecules.