Excess vibrational entropy and local environment effects

Abstract

The contribution of phonons to the excess entropy of concentrated alloys AcB1-c in a semiempirical model is studied. Numerical results are presented for a number of alloys. It is shown that the variations of the local entropies with the concentration mainly determine the excess entropy and that the local environment effects are not negligible; discussion of these results in relation to the surrounded atom model is presented.