Schottky-Energy Calculation: Relation between Force-Balance and Energy-Minimization Procedures

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Abstract
An attempt is made to determine whether the variations between results of Schottky-energy calculations in the literature arise chiefly from the parameters used or from the method of attacking the problem. Results of the force-balance and energy-minimization methods of calculating the displacements of the ions surrounding the defect and the dipoles upon them are compared. It is concluded that the differences are small and explicable provided the same set of crystal parameters is used. The reasons for some of the discrepancies in the literature are discussed.

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