Heats of Formation of Transition-Metal Alloys

Abstract

This Letter proposes a scheme for obtaining the $d$-electron energy-band parameters to be used in a simple analytic model of the alloy heat of formation, $\Delta H$. The scheme employs, as an intermediate step, the equalization of the local chemical potentials of the two sites. Calculations for $3d$, $4d$, and $5d$ metal alloys yield $\Delta H$ in accord with experimental trends, but, unlike earlier estimates, with $d$ charge transfer in the direction indicated by experiment.