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We examine the possibility of using graphene nanoribbons (GNRs) with directlysubstituted chromium atoms as spintronic device. Using density functionaltheory, we simulate a voltage bias across a constructed GNR in a device setup,where a magnetic dimer has been substituted into the lattice. Through thisfirst principles approach, we calculate the electronic and magnetic propertiesas a function of Hubbard U, voltage, and magnetic configuration. By calculatingof the total energy of each magnetic configuration, we determine that initialantiferromagnetic ground state flips to a ferromagnetic state with appliedbias. Mapping this transition point to the calculated conductance for thesystem reveals that there is a distinct change in conductance through the GNR,which indicates the possibility of a spin valve. We also show that thiscorresponds to a distinct change in the induced magnetization within thegraphene.

Voltage-dependent spin flip in magnetically-substituted graphene nanoribbons: Toward the realization of graphene-based spintronic devices