Dispersion of phonons in molecular solids by an anharmonic rigid-atom model
✍ Scribed by N.P Gupta; P.K Garg
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 750 KB
- Volume
- 95
- Category
- Article
- ISSN
- 0003-4916
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✦ Synopsis
Phonon dispersion relations for molecular (rare-gas) solids have been computed by an anharmonic central-force rigid-atom model. The model derives the intermolecular interaction from a two-piece four-parameter pair potential, includes zero-point vibrations through potential parameters by a self-consistent method, and accounts for the contribution of the cubic and quartic anharmonic potential terms as perturbation to the harmonic Hamiltonian. The results show reasonably good agreement with the latest observed data. The merits and demerits, with possibilities of improvement, of the model have been discussed in full.