Two-dimensional analysis of the double-resonant 2D Raman mode in bilayer graphene

Abstract

By computing the double-resonant Raman scattering cross-section completely from first principles and including 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 lineshape is described by three dominant resonances around the $K$ point. We show that the splitting of the TO phonon branch in $\Gamma -K$ direction, as large as 12 cm${}^{-1}$ in $GW$ approximation, is of great importance for a thorough description of the 2D-mode lineshape. Finally, we present a method to extract the TO phonon splitting and the splitting of the electronic bands from experimental data.

5 pages Main + 6 pages Supplementary Material. Accepted for publication in Physical Review Letters

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• Probing enhanced electron-phonon coupling in graphene by infrared resonance Raman spectroscopy
• Infrared resonance Raman of bilayer graphene: signatures of massive fermions and band structure on the 2D peak
• First-principles calculations of double resonance Raman spectra for monolayer MoTe${}_2$
• Addressing Raman features of individual layers in isotopically labeled Bernal stacked bilayer graphene
• Theory of infrared double-resonance Raman spectrum in graphene: the role of the zone-boundary electron-phonon enhancement
• QR${}^2$-code: An open-source program for double resonance Raman spectra