Abstract
A tight-binding bond model is used for a quantitative study of electronic interactions in nickel-titanium compounds. The model is not an ab initio calculation but it requires only the data on the elemental properties of pure metal constituents that are readily available in the literature. Combined with an extended cluster Bethe lattice method (CBLM) for FCC- and BCC-based solid solutions and the B2 phase, and the recursion method for NiTi2 and Ni3Ti stoichiometric compounds, this approach allows the energy of formation of these alloys to be calculated and the chemical trends in the ordering effects to be analysed.
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