Graphene spintronics: Spin injection and proximity effects from first principles

Ferromagnet/graphene (F/Gr) junctions are important building blocks for graphene spintronics. While simple models of spin injection are very successful for macroscopic metallic junctions, they reveal many deficiencies in describing F/Gr junctions. First-principles methods are key to assess such Gr-based junctions, but the computational cost is often too high. We focus on Ni(111)/Gr junctions and include van der Waals interactions from first principles, crucial for their correct description. We formulate a computationally inexpensive model to examine the nonuniformity and bias dependence of spin injection and elucidate proximity effects using spin polarization maps. Our results could extend the applicability of simple spin injection models in F/Gr junctions.