We present simple band-models able to calculate the thermodynamic data for transition metal based alloys in a tight-binding approach. In the case of d metal-p metal alloys the highly negative values of thermodynamic data have been explained from the filling of the d-band of the transition metal by the sp electrons of p metal. For binary transitional alloys, the heats of formation are studied as a function of differences between elemental bandwidths and atomic energy levels. © 1985.
Pasturel, A., Colinet, C., & Hicter, P. (1985). Bonding and thermodynamic properties of the transition metal based alloys. Calphad, 9(4), 349–362. https://doi.org/10.1016/0364-5916(85)90003-3