Uncovering high thermoelectric figure of merit in (Hf,Zr)NiSn half-Heusler alloys

Half-Heusler alloys (MgAgSb structure) are promising thermoelectric materials. RNiSn half-Heusler phases (R = Hf, Zr, and Ti) are the most studied in view of thermal stability. The highest dimensionless figure of merit (ZT) obtained is ∼1 in the temperature range ∼450–900 °C, primarily achieved in nanostructured alloys. Through proper annealing, ZT ∼ 1.2 has been obtained in a previous ZT ∼ 1 n-type (Hf,Zr)NiSn phase without the nanostructure. There is an appreciable increase in power factor, decrease in charge carrier density, and increase in carrier mobility. The findings are attributed to improved structural order. Present approach may be applied to optimize the functional properties of Heusler-type alloys.