Theoretical calculation of the mixing enthalpies of 21 IIIB-IVB, IIIB-VB and IVB-VB binary alloy systems

The calculation of the formation/mixing enthalpies of binary alloys is an important problem. There have been no systematic theoretical calculations of the mixing enthalpies for group B alloy systems using the famous Miedema theory or from the theoretical methods of first principle. Therefore such calculations for the 21 binary group IIIB-IVB, IIIB-VB and IVB-VB metal alloy systems are performed systematically for the first time using a subregular model. The results show that the agreement between the calculations and experimental data is pretty good and could be accepted from the theoretical or experimental points of view. From the present results and those in other two papers by the authors, it also can be concluded that the subregular model can be used for calculating the mixing enthalpies for all the 36 alloy systems combined with the 9 group B metals of Zn, Cd, Ga, In, Tl, Sn, Pb, Sb and Bi.