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
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