Physical Review Letters · 2014 · 45 citations · 29 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSpectroscopyAb Initio MethodsElectron-phonon InteractionsElectronic Band StructureRaman SpectroscopyTwo-dimensional NanomaterialsElectron-electron InteractionsFirst-principles ModelingGrapheneGraphene MaterialsOptical Properties Of GrapheneRaman ScatteringRaman SpectraScattering Resonances
By computing the double-resonant Raman scattering cross section completely from first principles and including the electron-electron interaction at the GW level, we unravel the dominant contributions for the double-resonant 2D mode in bilayer graphene. We show that, in contrast to previous works, the so-called inner processes are dominant and that the 2D-mode line shape is described by three dominant resonances around the K point. We show that the splitting of the transversal optical (TO) phonon branch in the Γ-K direction, as large as 12 cm(-1) in the GW approximation, is of great importance for a thorough description of the 2D-mode line shape. Finally, we present a method to extract the TO phonon splitting and the splitting of the electronic bands from experimental data.
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Raman Spectrum of Graphene and Graphene Layers
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