Inducing Complexity in Intermetallics through Electron–Hole Matching: The Structure of Fe₁₄Pd₁₇Al₆₉

Abstract

We illustrate how the crystal structure of Fe 14 Pd 17 Al 69 provides an example of an electron-hole matching approach to inducing frustration in intermetallic systems.I ts structure contains af ramework based on IrAl 2.75 ,abinary compound that closely adheres to the 18Ànr ule.Upon substituting the Ir with am ixture of Fe and Pd, ac ompetition arises between maintaining the overall ideal electron concentration and accommodating the different structural preferences of the two elements.A2 2 2s upercell results,w ith Pd-and Fe-rich regions emerging.J ust as in the original IrAl 2.75 phase,t he electronic structure of Fe 14 Pd 17 Al 69 exhibits apseudogap at the Fermi energy arising from an 18Ànb onding scheme.T he electron-hole matching approachsa bility to combine structural complexity with electronic pseudogaps offers an avenue to new phonon glass-electron crystal materials.