TY - JOUR
T1 - Excitonic Effects in Phonons
T2 - Reshaping the Graphene Kohn Anomalies and Lifetimes
AU - Guandalini, Alberto
AU - Macheda, Francesco
AU - Caldarelli, Giovanni
AU - Mauri, Francesco
PY - 2025/8/15
Y1 - 2025/8/15
N2 - We develop an ab initio framework that captures the impact of electron-electron and electron-hole interactions on phonon properties. This enables the inclusion of excitonic effects in the optical phonon dispersions and lifetimes of graphene, both near the center (Γ) and at the border (K) of the Brillouin zone, at phonon-momenta relevant for Raman scattering and for the onset of the intrinsic electrical resistivity. Near K, we find a phonon redshift of ∼150 cm^{-1} and a 10× enhancement of the group velocity, together with a 5× increase in linewidths due to a 26× increase of the electron-phonon matrix elements. These effects persist for doping 2E_{F}<ℏω_{ph} and are quenched at higher dopings. Near Γ, the excitonic effects are minor because of the gauge field nature of the electron-phonon coupling at small phonon momentum.
AB - We develop an ab initio framework that captures the impact of electron-electron and electron-hole interactions on phonon properties. This enables the inclusion of excitonic effects in the optical phonon dispersions and lifetimes of graphene, both near the center (Γ) and at the border (K) of the Brillouin zone, at phonon-momenta relevant for Raman scattering and for the onset of the intrinsic electrical resistivity. Near K, we find a phonon redshift of ∼150 cm^{-1} and a 10× enhancement of the group velocity, together with a 5× increase in linewidths due to a 26× increase of the electron-phonon matrix elements. These effects persist for doping 2E_{F}<ℏω_{ph} and are quenched at higher dopings. Near Γ, the excitonic effects are minor because of the gauge field nature of the electron-phonon coupling at small phonon momentum.
UR - https://www.scopus.com/pages/publications/105015726896
U2 - 10.1103/y1dn-m6pc
DO - 10.1103/y1dn-m6pc
M3 - Article
C2 - 40929203
AN - SCOPUS:105015726896
SN - 0031-9007
VL - 135
SP - 76401
JO - Physical Review Letters
JF - Physical Review Letters
IS - 7
ER -