Abstract

The advantages of describing solid solutions at each composition x and temperature T with effective interactions are illustrated by considering two issues in the present work: (1) Calculation of certain physical properties of interest at each x and T; and (2) handling of single impurities in a solid solution (the formation energy of Schottky defects has been estimated). Our results suggest that significant contributions to the total entropy of a solid solution can arise from configurational entropy due to vacancies.

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