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Inelastic neutron scattering; lattice dynamics; thermodynamic properties; ab initio calculations.

We review current research on minerals using inelastic neutron scattering and lattice dynamics calculations. Inelastic neutron scattering studies in combination with first principles and atomistic calculations provide a detailed understanding of the phonon dispersion relations, density of states and their manifestations in various thermodynamic properties. The role of theoretical lattice dynamics calculations in the planning, interpretation and analysis of neutron experiments are discussed. These studies provide important insights in understanding various anomalous behaviour including pressure-induced amorphization, phonon and elastic instabilities, prediction of novel high pressure phase transitions, high pressure{temperature melting, etc.

Narayani Choudhury¹ S L Chaplot¹

1. Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085, India

Published

October 2008