Spin-orbit gap of graphene: First-principles calculations

Even though graphene is a low energy system consisting of the two dimensional honeycomb lattice of carbon atoms, its quasi-particle excitations are fully described by the 2+1 dimensional relativistic Dirac equation. In this paper we show that while the spin-orbit interaction in graphene is of the order of $4 meV$,itopensupagapoftheorderof$10^{-3} meV$ at the Dirac points. We present the first principle calculation of the spin-orbit gap, and explain the behavior in terms of a simple tight-binding model. Our result also shows that the recently predicted quantum spin Hall effect in graphene can only occur at unrealistically low temperature.