Phonon dispersion and density of states of solid C60

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.