Abstract

In the framework of the coherent potential approximation we show that the interaction parameter V(0) for disordered A2 FeAl alloy strongly depends on the concentration. Data of non-empirical calculations for different compositions of B2 phase were used to extract V(0) and were compared with the parameter treated from the X-ray scattering data. Another energy parameter V(k→s) which defines the stability of B2 phase with respect to its temperature disordering is negative for all concentrations under consideration.

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