Phonon dispersion and density of states of solid C60

6 December 1993

journal article
research article
Published by AIP Publishing in Applied Physics Letters

Vol. 63 (23) , 3152-3154
https://doi.org/10.1063/1.110232

Abstract

Dispersion and density of states (DOS) of inter‐ and intramolecular phonons are calculated for solid C₆₀ using a tight‐binding molecular dynamics method. Intermolecular phonon DOS extends up to 7.6 meV and shows libron peaks at 2.3 and 3.7 meV. Orientational disorder softens libron modes. Intramolecular phonons below 70 meV also show significant dispersion. The calculated phonon spectra are in good agreement with inelastic neutron scattering experiments.

Keywords

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