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… (More)
FIG. 5. Calculations of low energy properties of graphene on Cu(111) surface as a function of distance, with a Hubbard U of 1 eV used. (a) Total energy with respect to the minimal total energy at 3.09 Å; (b) Dirac energy shift ED with respect to Fermi level; (c) proximity induced potential and Rashba spin-orbit coupling parameter λR, as well as the derivative of λR; (d) intrinsic spin-orbit coupling parameters λAI and λBI ; (e) spin sz expectation values for the ε1 and ε4 graphene eigenvalues at the K point and (f) for the ε2 and ε3 eigenvalues. The shaded region indicates predicted distances from other theoretical references [21–23].