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arxiv: 1806.03212 · v2 · pith:FXU5MO64new · submitted 2018-06-08 · ❄️ cond-mat.mtrl-sci

Nonadiabatic coupling effects in MgB₂ reexamined

classification ❄️ cond-mat.mtrl-sci
keywords nonadiabaticcouplingdependenceeffectselectron-holeelectron-phononpairraman
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The unusual Raman spectrum of MgB$_2$ and its formidable temperature dependence are successfully reproduced by means of a parameter-free \emph{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 interaction.

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