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Infrared Absorption Properties of LiH, LiD Mixed Crystals

Infrared Absorption Properties of LiH, LiD Mixed Crystals The normal modes of pure LiH and LiD, required in impurity mode calculations, have been computed on the basis of the deformation-dipole model. Neutron-scattering results of Verble, Warren, and Yarnell for Li 7 D, along with some other experimental quantities, have been used to determine the various parameters involved. It is found that the frequency spectrum of LiH has a gap and that a substitutional D - ion produces a local mode in this gap whose frequency has been computed, together with its amplitude at the impurity. The infrared absorption frequency associated with this local mode and its integrated absorption have been computed as functions of D - content in the limit of low D - concentration. Also, we find an in-band resonance in the amplitude of the substitutional D - ion. Similar calculations have been carried out for H - impurities in LiD. The present results are compared with those of other calculations and with experiment. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review American Physical Society (APS)

Infrared Absorption Properties of LiH, LiD Mixed Crystals

Physical Review , Volume 171 (3) – Jul 15, 1968
6 pages

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Publisher
American Physical Society (APS)
Copyright
Copyright © 1968 The American Physical Society
ISSN
1536-6065
DOI
10.1103/PhysRev.171.1090
Publisher site
See Article on Publisher Site

Abstract

The normal modes of pure LiH and LiD, required in impurity mode calculations, have been computed on the basis of the deformation-dipole model. Neutron-scattering results of Verble, Warren, and Yarnell for Li 7 D, along with some other experimental quantities, have been used to determine the various parameters involved. It is found that the frequency spectrum of LiH has a gap and that a substitutional D - ion produces a local mode in this gap whose frequency has been computed, together with its amplitude at the impurity. The infrared absorption frequency associated with this local mode and its integrated absorption have been computed as functions of D - content in the limit of low D - concentration. Also, we find an in-band resonance in the amplitude of the substitutional D - ion. Similar calculations have been carried out for H - impurities in LiD. The present results are compared with those of other calculations and with experiment.

Journal

Physical ReviewAmerican Physical Society (APS)

Published: Jul 15, 1968

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