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Lattice Deformations in Alkali-Halide Solid Solutions

1962; American Institute of Physics; Volume: 127; Issue: 4 Linguagem: Inglês

10.1103/physrev.127.1053

1536-6065

B. G. Dick, T. P. Das,

Solid-state spectroscopy and crystallography

Using the Born-Mayer model, calculations on dilute solid solutions of alkali halides have been made. The systems considered are NaCl-NaBr and KBr-NaBr. In this paper ion displacements in the vicinity of an impurity atom are calculated and the results applied to the calculation of heats of solution and lattice constant changes. Electronic and ionic polarization and van der Waals interactions are included and found to be important.