Effects of biaxial strains on the magnetic properties of Co-graphene heterojunctions

Abstract

Using the ab initio calculations, the changes of the magnetic properties of Co atoms on graphene for biaxial strains on graphene were investigated. Our calculation results showed that the compression of graphene changed the magnetic moments of Co adatoms more significantly than the elongation of graphene. From the 3d-electron density of states of Co atoms, the changes of magnetic properties of Co atoms on graphene were found to result from the significant hybridization between Co 3d(yz) and C 2p(z) orbitals. It was demonstrated that this 3d-electron hybridization of Co/graphene system originated from the strain-induced change of the local atomic structure.