Effects of Ti Doping on TaFeSb Half-Heuslers Estimated by a Single Parabolic Band Model

Hyunjin Park, Sang il Kim, Kiyoung Lee, Won Seon Seo, Hyun Sik Kim

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

Recent discovery of new p-type Ta1-xTixFeSb-based half-Heusler thermoelectric alloy has drawn much attention due to its high thermoelectric performance, zT of ∼1.52 near 970 K. However, the electronic band parameters of TaFeSb nor Ti-doped TaFeSb have not been studied so far. Here we report the band parameters of Ta1-xTixFeSb (x=0–0.16) calculated by the Single Parabolic Band model. Ti doping (x=0.12) both increases the density-of-states effective mass and non-degenerate mobility by 27 and 29 times compared to those of the pristine TaFeSb (x=0). This simultaneous increase results in weighted mobility improvement by a factor of 4000 with Ti doping of x=0.12. Based on the estimated weighted mobility and the lattice thermal conductivity, the 300 K zT of Ta0.88Ti0.12FeSb (x=0.12) can be further increased by 10% once the carrier concentration is appropriately tuned.

Original languageEnglish
Article numbere202200370
JournalChemNanoMat
Volume8
Issue number11
DOIs
StatePublished - Nov 2022

Keywords

  • TaFeNb
  • density-of-states effective mass
  • half-Heusler
  • thermoelectric
  • weighted mobility

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