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Description:

Heusler compounds with six valence electrons per atom have attracted interest as thermoelectric
materials owing to their semimetallic and semiconducting properties. Here, we theoretically and
experimentally investigate electronic transport in Ru2TiSi-based full-Heuslers. We show that electronic
transport in this system can be well captured by a two-parabolic band model. The larger
band gap of Ru2TiSi promises a higher thermoelectric performance, compared to its isovalent family
member Fe2VAl, which has been studied as a thermoelectric material for over two decades. Additionally,
we identify p-type Ru2TiSi as far more efficient than previously studied n-type compounds
and demonstrate that this can be traced back to much lighter and more mobile holes originating
from dispersive valence bands. It is predicted that the dimensionless figure of merit could exceed 1
at around 700K if the lattice thermal conductivity of p-type compounds can be reduced, e.g., by
substituting Zr or Hf for Ti.

Rights:

• Creative Commons BY Attribution 4.0 International
  

Keyword: thermoelectric

Date published: 2025-03-03

Publisher: American Physical Society (APS)

Journal:

• PRX Energy (ISSN: 27685608) vol. 4 issue. 1 013010

Funding:

• Japan Science and Technology Agency

Manuscript type: Publisher's version (Version of record)

MDR DOI:

First published URL: https://doi.org/10.1103/prxenergy.4.013010

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Updated at: 2025-11-11 08:30:12 +0900

Published on MDR: 2025-11-11 08:22:14 +0900