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A Theoretical Study of the Energies of Solution, Association and Migration for Univalent Substitutional Impurities in Alkali Halide Crystals

J. Corish, Brenda M. C. Parker and P. W. M. Jacobs
Proceedings of the Royal Irish Academy. Section B: Biological, Geological, and Chemical Science
Vol. 77 (1977), pp. 371-381
Published by: Royal Irish Academy
Stable URL: http://www.jstor.org/stable/20494300
Page Count: 12
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Since scans are not currently available to screen readers, please contact JSTOR User Support for access. We'll provide a PDF copy for your screen reader.
A Theoretical Study of the Energies of Solution, Association and Migration for Univalent Substitutional Impurities in Alkali Halide Crystals
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Abstract

Theoretical calculations have been made of the energy change associated with the substitution of a univalent impurity ion into an alkali halide host crystal. The association energies for the formation of nearest neighbour (nn) or next nn complexes with a vacancy on the same sublattice and the activation energies for four kinds of single vacancy jumps have also been calculated. The results of the calculations are discussed in relation to the size of the substitutional impurity ion and comparisons are made with available experimental data.

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