Calculation of energy of formation of vacancy pairs in alkali halides
- 1 September 1970
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 3 (9) , 1856-1860
- https://doi.org/10.1088/0022-3719/3/9/004
Abstract
The energy of formation of bound vacancy pairs in alkali halides is calculated using the recent basic parameters derived by Tosi and Fumi (1958). In these calculations the ten nearest neighbours of the vacancy pair are given a general relaxation. The results indicate that the Born-Mayer repulsive potential gives a reasonable estimate for the energy of formation. For comparison, the results of calculations made (i) with the Born-Mayer-Verwey potential and (ii) with a restricted relaxation are also given.Keywords
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