Effect of Pd alloying on structural, electronic and magnetic properties of L1₀ Fe–Ni

We present a systematic study of the effect of Pd-alloying on phase stability, electronic structure, and elastic properties in L10Fe-Ni using density-functional theory. Being from the same group of the periodic table, Pd is the best candidate for chemical alloying. The Fe-Ni/Fe-Pd/Ni-Pd bond-length increases with increasing Pd-concentration, which weakens the hybridization between low lying energy states below Fermi-level. The reduced...