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A density-functional-based theory is developed for calculation of the total energy and pressure of random substitutional alloys within the Korringa-Kohn-Rostoker coherent-potential approximation. The theory is used to calculate the concentration variation of the equilibrium lattice spacing of α-phase CucZn_1-c alloys. We find, in agreement with experiment, that the variation is almost linear and that it deviates from Vegard's rule.
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Johnson et al. (1986) studied this question.
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