We study orbital and spin-orbit proximity effects in graphene adsorbed to the Cu(111) surface by means of density functional theory (DFT). The proximity effects are caused mainly by the hybridization of graphene π and copper d orbitals. Our electronic structure calculations agree well with the experimentally observed features. We carry out a graphene-Cu(111) distance dependent study to obtain proximity orbital and spin-orbit coupling parameters, by fitting the DFT results to a robust low energy… CONTINUE READING
FIG. 7. Band structure topologies of graphene on Cu(111) for 2.2 Å and 2.5 Å distances of graphene from the Cu(111) surface. The spin sz expectation values for the states are encoded by the color scale, where red color denotes spin-z expectation value of 1/2 and blue color denotes a spin-z expectation value of −1/2.