Microscopic basis of Miedema's theory of alloy formation

Abstract
Miedema's model for predicting heats of formation is compared to recent ab initio calculations for the heats of formation of intermetallic alloys. Heats of formation for all 3d3d, 3d4d, and 4d4d transition-metal combinations are examined within Miedema's scheme. In general, the 4d4d alloys do not form a "representative" group of transition-metal alloys. Hence, we question generalizations on alloy formation which are based upon a study of 4d4d alloys alone.

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