Strain Control of Magnetism in Transition-Metal-Atom Decorated Graphene

Abstract: We report a strain-controlled tuning of magnetism in transition-metal-atom-decorated graphene. Our first-principles calculations demonstrate that strain can lead to a sudden change in the magnetic configuration of a transition metal (TM) adatom and the local atomic structure in the sur- rounding graphene layer, which have a dramatic effect on the effective exchange coupling between neighboring TM atoms. A strong spin-dependent hybridization between TM d and graphene 1/4 orbital states, derived from the orbital selection rule of the local lattice symmetry, is responsible for the determination of the local electronic and magnetic structure. Our results indicate that the strain can be an effective way to control the magnetism of atomic-scale nanostructures, where the reliable control of their magnetic states is a key step for the future spintronic applications.