Abstract
The unusual Raman spectrum of and its formidable temperature dependence are successfully reproduced by means of a parameter-free ab initio nonadiabatic theory that accounts for the electron-hole pair scattering mechanisms with the system phonons. This example turns out to be a prototypical case where a strong nonadiabatic renormalization of the phonon frequency is partially washed out by the aforementioned scattering events, bringing along a characteristic temperature dependence. Both electron-hole pair lifetime and energy renormalization effects due to dynamical electron-phonon coupling turn out to play a crucial role. This theory could aid in comprehending other Raman spectra characterized with unconventionally strong electron-phonon interactions.
- Received 11 June 2018
DOI:https://doi.org/10.1103/PhysRevB.98.041112
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