Giant non-adiabatic effects in layer metals: Raman spectra of intercalated graphite explained

Abstract

The occurrence of non-adiabatic effects in the vibrational properties of metals have been predicted since the 60's, but hardly confirmed experimentally. We report the first fully \emph{ab initio} calculations of non-adiabatic frequencies of a number of layer and conventional metals. We suggest that non-adiabatic effects can be a feature of the vibrational Raman spectra of any bulk metal, and show that they are spectacularly large (up to 30% of the phonon frequencies) in the case of layer metals, such as superconducting $Mg{B}_2$, $Ca{C}_6$ and other graphite intercalated compounds. We develop a framework capable to estimate the electron momentum-relaxation time of a given system, and thus its degree of non-adiabaticity, in terms of the experimentally observed frequencies and linewidths.

4 pages, 3 figures, 1 table

References in corpus (3)

• Non-adiabatic Kohn-anomaly in a doped graphene monolayer
• Optical Phonons in Carbon Nanotubes: Kohn Anomalies, Peierls Distortions and Dynamic Effects
• Possibility of superconductivity in graphite intercalated with alkaline earths investigated with density functional theory

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