Inducing Complexity in Intermetallics through Electron–Hole Matching: The Structure of Fe14Pd17Al69
Gordon G. C. Peterson
Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, WI, 53706 USA
Search for more papers by this authorDr. Vincent J. Yannello
Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, WI, 53706 USA
Search for more papers by this authorCorresponding Author
Prof. Daniel C. Fredrickson
Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, WI, 53706 USA
Search for more papers by this authorGordon G. C. Peterson
Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, WI, 53706 USA
Search for more papers by this authorDr. Vincent J. Yannello
Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, WI, 53706 USA
Search for more papers by this authorCorresponding Author
Prof. Daniel C. Fredrickson
Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, WI, 53706 USA
Search for more papers by this authorAbstract
We illustrate how the crystal structure of Fe14Pd17Al69 provides an example of an electron–hole matching approach to inducing frustration in intermetallic systems. Its structure contains a framework based on IrAl2.75, a binary compound that closely adheres to the 18−n rule. Upon substituting the Ir with a mixture of Fe and Pd, a competition arises between maintaining the overall ideal electron concentration and accommodating the different structural preferences of the two elements. A 2×2×2 supercell results, with Pd- and Fe-rich regions emerging. Just as in the original IrAl2.75 phase, the electronic structure of Fe14Pd17Al69 exhibits a pseudogap at the Fermi energy arising from an 18−n bonding scheme. The electron–hole matching approach's ability to combine structural complexity with electronic pseudogaps offers an avenue to new phonon glass–electron crystal materials.
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