Anharmonicity of phonons in crystalline naphthalene

Abstract
Neutron inelastic scattering experiments have been carried out to measure the phonon energies of deuterated naphthalene C10D8 for the lowest 12 dispersion branches along ( xi 00) and (00 xi ) directions at various temperatures ranging from 6 to 300K. Using measured mode Gruneisen parameters the quasiharmonic shifts related to the deformation of the lattice and to the temperature-dependent anharmonic self-energy shift were obtained separately. For calculations the authors used the rigid molecule model based on the '6-exp' potential.