Physical Review B · 2006 · 1.1K citations · 18 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsElectronic MaterialsMaterials PhysicsAb Initio MethodsElectronic Band StructureElectronic StructureElectronic Structure Of SolidsExchange InteractionsSpin-orbit CouplingEffective Hamiltonian TheoryGrapheneRashba EffectSecond-order Perturbation TheorySpin-orbit Coupling EffectsSpin-orbit HamiltonianTight-binding ModelsTight-binding Theory
Starting from a microscopic tight-binding model and using second-order perturbation theory, we derive explicit expressions for the intrinsic and Rashba spin-orbit interaction induced gaps in the Dirac-like low-energy band structure of an isolated graphene sheet. The Rashba interaction parameter is first order in the atomic carbon spin-orbit coupling strength $\ensuremath{\xi}$ and first order in the external electric field $E$ perpendicular to the graphene plane, whereas the intrinsic spin-orbit interaction which survives at $E=0$ is second order in $\ensuremath{\xi}$. The spin-orbit terms in the low-energy effective Hamiltonian have the form proposed recently by Kane and Mele. Ab initio electronic structure calculations were performed as a partial check on the validity of the tight-binding model.
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