Interionic potentials for alkali halides. I. Crystal independent shell parameters and fitted Born-Mayer potentials
- 28 April 1978
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 11 (8) , 1523-1540
- https://doi.org/10.1088/0022-3719/11/8/014
Abstract
A consistent set of shell parameters for alkali halide crystals of both rocksalt and CsCl structures is reported. The fitting procedure, values of the parameters and their sensitivity are discussed. Short range interionic potentials are determined and are shown to give a good description of both static and dynamic properties of the crystals.Keywords
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