Phonon dispersion curves and phonon lifetimes in crystalline ammonia |
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| Authors: | R.G. Della Valle P.F. Fracassi R. Righini S. Califano S.H. Walmsley |
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| Affiliation: | Istituto di Chimica Fisica, Universita di Firenze, 50121 Firenze, Italy;Department of Chemistry, University College London, London WC1H 0AJ, UK |
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| Abstract: | The theory of lattice dynamics of molecular crystals using atom—atom and multiple—multipole potentials developed in previous papers is extended to take account of anharmonic effects. Calculations of the dispersion curves and the density of states for the harmonic phonons in solid ammonia are presented. The finite phonon lifetimes due to anharmonicity are calculated for the zero wave vector modes and compared with experiment. |
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