We introduce a pz-d coupling model Hamiltonian for the π-graphene/Au bands that predicts a rather large intrinsic spin-orbit (SO) coupling as are being reported in recent experiments and DFT studies. Working within the analytical Slater-Koster tight-binding approach we were able to identify the overlapping orbitals of relevance in the enhancement of the SO coupling for both, the sublattice symmetric (BC), and the ATOP (AC) stacking configurations. Our model effective Hamiltonian reproduces quite well the experimental spectrum for the two registries, and in addition, its shows that the hollow site configuration (BC), in which the A/B sites remain symmetric, yields the larger increase of the SO coupling. We also explore the Au-diluted case keeping the BC configuration and showed that it renders the preservation of the SO-gap with a similar SO interaction enhancement as the undiluted case but with a smaller graphene-gold distance. arXiv:1910.01110v1 [cond-mat.mtrl-sci]

We build a tight-binding Hamiltonian describing Co/Ni over graphene, contemplating ATOP (a Co/Ni atom on top of each Carbon atom of one graphene sublattice) and HCP (one Co/Ni atom per Graphene plaquette) configurations. For the ATOP configuration the orbitals involved, for the Co/Ni, are the d z 2 −r 2 which most strongly couples to one graphene sublattice and the dxz, dyz orbitals that couple directly to the second sublattice site. Such configuration is diagonal in pseudospin and spin space, yielding electron doping of the graphene and antiferro-magnetic ordering in the primitive cell in agreement with DFT calculations. The second, HCP configuration is symmetric in the graphene sublattices and only involves coupling to the dxz, dyz orbitals. The register of the lattices in this case allows for a new coupling between nearest neighbour sites, generating non-diagonal terms in the pseudo-spin space and novel spin-kinetic couplings mimicking a spin-orbit coupling generated by a magnetic coupling. The resulting proximity effect in this case yields ferromagnetic order in the graphene substrate. We derive the band structure in the vicinity of the K points for both configurations, the Bloch wavefunctions and their spin polarization.