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Abstract
We have calculated the energy of formation of vacancies in ionic crystals, within the framework of the harmonic approximation, treating the entire defect lattice in the Mott–Littleton continuum approximation. The results of the calculation of the energy of formation of Schottky pairs in ionic crystals, and vacancy pairs in alkali halides, are in good agreement with the experimental results. Besides its simplicity, the success of the method depends on the fact that the calculations are free from inaccuracies of the repulsive potential and of the electronic polarizability.