We theoretically investigate the double-resonance Raman spectrum of monolayer graphene down to infrared laser excitation energies. By using first-principles density functional theory calculations, we improve upon previous theoretical predictions based on conical models or tight-binding approximations, and rigorously justify the evaluation of the electron-phonon enhancement found in Venanzi, Graziotto et al. [Phys. Rev. Lett. 130, 256901 (2023)]. We proceed to discuss the effects of such enhancement on the room-temperature graphene resistivity, hinting towards a possible reconciliation of theoretical and experimental discrepancies.

Theory of infrared double-resonance Raman spectrum in graphene: The role of the zone-boundary electron-phonon enhancement / Graziotto, Lorenzo; Macheda, Francesco; Sohier, Thibault; Calandra, Matteo; Mauri, Francesco. - In: PHYSICAL REVIEW. B. - ISSN 2469-9950. - 109:7(2024), pp. 07542001-07542017. [10.1103/physrevb.109.075420]

Theory of infrared double-resonance Raman spectrum in graphene: The role of the zone-boundary electron-phonon enhancement

Calandra, Matteo;
2024-01-01

Abstract

We theoretically investigate the double-resonance Raman spectrum of monolayer graphene down to infrared laser excitation energies. By using first-principles density functional theory calculations, we improve upon previous theoretical predictions based on conical models or tight-binding approximations, and rigorously justify the evaluation of the electron-phonon enhancement found in Venanzi, Graziotto et al. [Phys. Rev. Lett. 130, 256901 (2023)]. We proceed to discuss the effects of such enhancement on the room-temperature graphene resistivity, hinting towards a possible reconciliation of theoretical and experimental discrepancies.
2024
7
Graziotto, Lorenzo; Macheda, Francesco; Sohier, Thibault; Calandra, Matteo; Mauri, Francesco
Theory of infrared double-resonance Raman spectrum in graphene: The role of the zone-boundary electron-phonon enhancement / Graziotto, Lorenzo; Macheda, Francesco; Sohier, Thibault; Calandra, Matteo; Mauri, Francesco. - In: PHYSICAL REVIEW. B. - ISSN 2469-9950. - 109:7(2024), pp. 07542001-07542017. [10.1103/physrevb.109.075420]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11572/404932
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