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Heat of formation of solid solution of alkali halides

Authors
Journal
Journal of Physics and Chemistry of Solids
0022-3697
Publisher
Elsevier
Publication Date
Volume
41
Issue
12
Identifiers
DOI: 10.1016/0022-3697(80)90145-6

Abstract

Abstract Based on a semicontinuum model, the electrostatic, the polarisation, and the repulsive energy change of a lattice is calculated numerically, as a function of the relaxation of the nearest neighbouring ions of a substitutional impurity in an alkali halide crystal. It is found that for a particular displacement, the total energy change of the lattice is a minimum. Thus the heat of formation of a dilute solid solution is obtained. Here, we report calculations on the heat of formation of the following systems-Na + in LiCl, Li + in NaCl, K + in NaCl, Na + in KCl, Rb + in NaCl, Na + in RbCl, F − in NaCl, Cl − in NaF. Br − in NaCl and Cl − in NaBr.

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