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The association energy of aggregates of divalent impurities and vacancies in NaCl-type crystals (point charge approximation)

✍ Scribed by Dr. G. Berg; Dozent Dr. habil. F. Fröhlich; S. Siebenhüner


Publisher
John Wiley and Sons
Year
1975
Tongue
English
Weight
286 KB
Volume
10
Category
Article
ISSN
0232-1300

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✦ Synopsis


Abstract

The formation and association energies for the different aggregates of divalent metal impurities and cation vacancies are derived by considerations of the sums over all lattice vectors. This gives a simple formula in the point charge approximation if an infinite lattice is assumed. Because of the neglection of the polarization of the ions this method yields a higher value for these energies, as a comparison with the literature for the case of dipoles shows. But nevertheless it is a first possibility for a correct estimation of these energies also for higher aggregates.