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The association energy of aggregates of divalent impurities and vacancies in NaCl‐type crystals (point charge approximation)
Author(s) -
Berg G.,
Fröhlich F.,
Siebenhüner S.
Publication year - 1975
Publication title -
kristall und technik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0023-4753
DOI - 10.1002/crat.19750101013
Subject(s) - divalent , impurity , lattice (music) , ion , dipole , divalent metal , lattice energy , condensed matter physics , chemistry , materials science , metal , physics , crystallography , crystal structure , quantum mechanics , organic chemistry , acoustics
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.