Abstract
A general method to determine phase diagrams and local order from the electronic theory of alloys is presented; we report a first numerical application of this method to the study of binary substitutional transition metal alloys using a canonical tight binding model for the “d” band structure. The relevant physical quantities (chemical, elastic…energies), which are required in such calculations are discussed in detail. Thus the results about the concentration dependence of the pair interactions and the energy of the disordered state are discussed. The stability of the homogeneous ordered structures, against a mixing of two phases is investigated and the general trends about segregation, miscibility and order are then reported. Finally the ground state phase stability diagrams of a series of systems corresponding to physical situations are presented.
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