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Rotational barrier height for diatomic molecular impurities in alkali halides

Authors
Journal
Journal of Physics and Chemistry of Solids
0022-3697
Publisher
Elsevier
Publication Date
Volume
37
Issue
12
Identifiers
DOI: 10.1016/0022-3697(76)90138-4

Abstract

Abstract A general expression for the coupling constants according to Devonshire's model for the hindered rotation of diatomic molecules in cubic crystals is derived. The treatment is confined to alkali halides with polarizable point ions. The results are applied to the librational modes of OH − and OD − impurities in KCl-, KBr- and KI-lattices.

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