An expression for the energy of an alkali halide crystal with a charged point defect is obtained using the Ewald method. The lattice relaxation is taken into account by the lattice static method.
All studies on the calculation of the heat of solution in alkali halide c r y s t a l s are based on the semi-continuum approximation /l/. In spite of the fact that in some works /2, 3/. the region in which the lattice relaxation is calculated accurately is great, the lattice static method /4/ has the advantage, that all calculations are done by "first principles". It consists in that the interionic interaction potentials have to b e given only.tice static method developed in /5/ applied t o a vacancy in ionic crystals was used. In the c a s e the substitutional ion has the s a m e charge as the host matrix ion, the electrostatic energy of the crystal can be written using the Ewald method in the form of the energy of the ideal crystal not fixing, however, the ions on i t s sites. The non-Coulomb part of the energy can be represented as follows:In the present work in o r d e r to calculate the substitutional impurity the lat-
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