Abstract
An accurate tight-binding fit to the full valence-conduction band region in K3C60 is used to generate deformation potentials for several phonon modes, including the optic intermolecular vibrations and librations that have not been investigated previously. The resulting electron-phonon coupling constants indicate coupling that is likely to be crucial in understanding electronic transport in the fullerides, and will provide contributions to superconducting pairing. Results for the intramolecularA g (2) “pentagonal pinch” mode suggests nonadiabatic behavior for this (and possibly other) very high frequency modes.
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Pickett, W.E., Papaconstantopoulos, D.A., Pederson, M.R. et al. Electron-phonon coupling in A3C60: Contributions from intermolecular modes. J Supercond 7, 651–655 (1994). https://doi.org/10.1007/BF00728479
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DOI: https://doi.org/10.1007/BF00728479