Thermoelectric figure of merit of AlPdRe icosahedral quasicrystals: composition-dependent effects

Abstract

In this work we present a theoretical study on the composition dependence of the thermoelectric figure of merit (ZT) of icosahedral AlPdRe quasicrystals. From our study we conclude that band-structure effects play a significant role in determining the thermoelectric performance of these alloys. By comparing our analytical results with available experimental data of transport coefficients we discuss the most appropriate stoichiometries for thermoelectric applications, concluding that (i) those samples whose Fermi level is located at the pseudogap's minimum exhibit very small ZT values, and (ii) relatively large ZT values are expected for those samples exhibiting narrow features in the density of states close to the Fermi level.