Ab initio calculation of the $G$ peak intensity of graphene: Combined study of the laser and Fermi energy dependence and importance of quantum interference effects

Abstract

We present the results of a diagrammatic, fully ab initio calculation of the $G$ peak intensity of graphene. The flexibility and generality of our approach enables us to go beyond the previous analytical calculations in the low-energy regime. We study the laser and Fermi energy dependence of the $G$ peak intensity and analyze the contributions from resonant and non-resonant electronic transitions. In particular, we explicitly demonstrate the importance of quantum interference and non-resonant states for the $G$ peak process. Our method of analysis and computational concept is completely general and can easily be applied to study other materials as well.

10 pages, 5 figures

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Cited by in corpus (4)

• Quantum interference effects in resonant Raman spectroscopy of single- and triple-layer MoTe${}_2$ from first principles
• Non-adiabatic exciton-phonon coupling in Raman spectroscopy of layered materials
• Wrinkling and crumpling in twisted few and multilayer CVD graphene: High density of edge modes influencing Raman spectra
• Theory of resonant Raman scattering: Toward a comprehensive \textit{ab initio} description