Abstract. Heusler compounds XY 2 Z with 24 valence electrons per formula unit are potential thermoelectric materials, given their thermal and chemical stability and their relatively earth-abundant constituent elements. First principal calculations on this compound suggest semiconducting behavior of TiFe 2 Sn, and a relatively flat conduction band that could be associated with a high Seebeck coefficient upon electron doping. TiFe 2 Sn as a thermoelectric material has been studied via synchrotron Xray and neutron diffraction studies that characterize site order/disorder phenomena. Samples fabricated by a three step processing approach were subjected to high temperature Seebeck and electrical resistivity measurements. Ti:Fe anti-site disorder is present in the stoichiometric compound and these defects are reduced in Ti-rich compositions. Additionally, we investigate control of the Seebeck coefficient through the introduction of carriers through the substitution of Sb on the Sn site in these intrinsically p-type materials.
Thermoelectric performance in Heusler TiFe