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Description:

Topological materials attract a considerable research interest because of their
characteristic band structure giving rise to various new phenomena in quantum physics.
Beside this, they are tempting from a functional materials point of view: Topological
materials bear potential for an enhanced thermoelectric efficiency because they possess
the required ingredients, such as intermediate carrier concentrations, large mobilities,
heavy elements etc. Against this background, this work reports an enhanced
thermoelectric performance of the topological Dirac semimetal Cd 3 As 2 upon alloying
the trivial semiconductor Zn 3 As 2 . This allows to gain fine-tuned control over both the
band filling and the band topology in Cd 3−x Zn x As 2 . As a result, the thermoelectric
figure of merit exceeds 0.5 around x = 0.6 and x =1.2 at elevated temperatures. The
former is due to an enhancement of the power factor, while the latter is a consequence of
a strong suppression of the thermal conductivity. In addition, in terms of first-principle
band structure calculations, the thermopower in this system is theoretically evaluated,
which suggests that the topological aspects of the band structure change when traversing
x =1.2 .

Rights:

• Creative Commons BY Attribution 4.0 International
  

Keyword: thermoelectric materials, figure of merit, band structure engineering, band filling, irac semimetal, Cd 3 As 2

Date published: 2024-12-31

Publisher: Taylor & Francis

Journal:

• Science and Technology of Advanced Materials (ISSN: 14686996) vol. 25 issue. 1 2412971

Funding:

Manuscript type: Author's version (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.5374

First published URL: https://doi.org/10.1080/14686996.2024.2412971

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Updated at: 2025-07-16 16:17:03 +0900

Published on MDR: 2025-03-26 17:26:34 +0900