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The electronic structure of iron-palladium alloys are studied using the self-consistent linear muffin-tin orbital (LMTO) method. In particular, three compounds are analyzed, namely, Pd₃Fe, PdFe, and PdFe₃ and their stability investigated with respect to the iron concentration. Results are obtained from ferromagnetic calculations for each alloy. Our discussion on internal excess energy shows the PdFe₃ ordered structure to be at best metastable with respect to its disordered alloy, while Pd₃Fe and PdFe are stable compounds. Results for PdFe₃ show a collapse of its magnetic moment as a function of the lattice parameter.
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Kuhnen et al. (1992) studied this question.
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