New Microscopic Approach to the Phonon Dispersion in Ionic Crystals
- 21 July 1975
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 35 (3), 174-177
- https://doi.org/10.1103/physrevlett.35.174
Abstract
A microscopic theory of lattice dynamics of ionic crystals is developed in terms of non-orthogonal highly localized wave functions. It is shown that this approach is in close correspondence to some shell models and leads to a microscopic understanding of the model parameters. The phonon dispersion of LiD has been calculated without using any adjustable parameters and it agrees with experiment to within 10% on the average.Keywords
This publication has 12 references indexed in Scilit:
- Microscopic calculation of phonon spectrum of KCl and KBrPhysical Review B, 1974
- Dielectric-screening matrix and lattice dynamics of SiPhysical Review B, 1974
- Unified Perturbation Treatment for Phonons in Metallic Covalent and Ionic CrystalsPhysica Status Solidi (b), 1973
- Microscopic theory of lattice dynamics for ionic crystals II. The contribution of long-range three-centre potentials to the phonon dispersion of alkali halidesPhysica Status Solidi (b), 1971
- Microscopic Theory of Force Constants in the Adiabatic ApproximationPhysical Review B, 1970
- Interatomic Interactions in Alkali HalidesPhysica Status Solidi (b), 1970
- Electronic Contribution to Lattice Dynamics in Insulating CrystalsPhysical Review B, 1969
- Derivation of the Shell Model of Lattice Dynamics and its Relation to the Theory of the Dielectric ConstantPhysical Review B, 1969
- Derivation of Phonon Dispersion Relations from Electronic States in InsulatorsPhysical Review Letters, 1968
- Quantum theory of cohesive properties of solidsAdvances in Physics, 1956