✦ LIBER ✦

Properties of Sodium Halide Molecules from Shell Model Parameters

✍ Scribed by J. D. Pirie; T. Smith

Publisher: John Wiley and Sons
Year: 1971
Tongue: English
Weight: 285 KB
Volume: 43
Category: Article
ISSN: 0370-1972
DOI: 10.1002/pssb.2220430232

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✦ Synopsis

Abstract

Model parameters which give a good description of measured phonon dispersion curves have been used in a shell model description of the corresponding molecules. The internuclear distance, the binding energy, the electric dipole moment, and the vibrational frequencies were then calculated. A comparison of these results with experiment provides a test for the model parameters over much larger displacements than are encountered in lattice vibrations at normal temperatures, and suggests which models may provide a useful description of the forces associated with the displacements near defects in crystals.

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