Engineering half-Heusler thermoelectric materials using Zintl chemistry

Zeier, Wolfgang G.;Schmitt, Jennifer;Hautier, Geoffroy;Aydemir, Umut;Snyder, G. Jeffrey;et.al.
(2016) Nature Reviews Materials — p. 16032 (2016)

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Authors
  • Zeier, Wolfgang G.Department of Materials Science and Engineering, Northweststern University, Evanston, USA
    Author
  • Schmitt, JenniferInstitut für Anorganische und Analytische Chemie, Johannes Gutenberg - Universitat, Mainz, Germany
    Author
  • Hautier, GeoffroyUCLouvain
    Author
  • Aydemir, UmutDepartment of Materials Science and Engineering, Northweststern University, Evanston, USA
    Author
  • Snyder, G. JeffreyDepartment of Materials Science and Engineering, Northwestern University, Evanston, USA
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Abstract
Half-Heusler compounds based on XNiSn and XCoSb (X = Ti, Zr or Hf) have rapidly become important thermoelectric materials for converting waste heat into electricity. In this Review, we provide an overview on the electronic properties of half-Heusler compounds in an attempt to understand their basic structural chemistry and physical properties, and to guide their further development. Half-Heusler compounds can exhibit semiconducting transport behaviour even though they are described as ‘intermetallic’ compounds. Therefore, it is most useful to consider these systems as rigid-band semiconductors within the framework of Zintl (or valence-precise) compounds. These considerations aid our understanding of their properties, such as the bandgap and low hole mobility because of interstitial Ni defects in XNiSn. Understanding the structural and bonding characteristics, including the presence of defects, will help to develop different strategies to improve and design better half-Heusler thermoelectric materials.
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Citations

Zeier, W. G., Schmitt, J., Hautier, G., Aydemir, U., Gibbs, Z. M., Felser, C., & Snyder, G. J. (2016). Engineering half-Heusler thermoelectric materials using Zintl chemistry. Nature Reviews Materials, 16032. https://doi.org/10.1038/natrevmats.2016.32 (Original work published 2016)