Magnetic properties and calculated electronic structure of iron-palladium alloys

The electronic structure of Fe--Pd alloys are studied using the self-consistent linear muffin-tin orbital (LMTO) method. In particular, three compounds are analyzed, Pd sub 3 Fe, PdFe, and PdFe sub 3 , and their stability investigated with respect to the Fe concentration. Results are obtained from ferromagnetic calculations for each alloy. The discussion on internal excess energy show the PdFe sub 3 ordered structure to be at best metastable with respect to its disordered alloy, while Pd sub 3 Fe and PdFe are stable compounds. Results for PdFe sub 3 show a collapse of its magnetic moment as a function of the lattice parameter.