Electron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloys
Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2016Permanent link to this record
http://hdl.handle.net/10754/621543
Metadata
Show full item recordAbstract
We solve the transport equations of the electrons and phonons to understand the thermoelectric behaviour of the technologically important half-Heusler alloys MNiSn (M: Ti, Zr, Hf). Doping is simulated within the rigid band approximation. We clarify the origin of the electron dominated thermoelectric response and determine the carrier concentrations with maximal figures of merit. The phonon mean free path is studied to calculate the grain size below which grain refinement methods can enforce ballistic heat conduction to enhance the figure of merit. © The Owner Societies 2016.Citation
Gandi AN, Schwingenschlögl U (2016) Electron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloys. Phys Chem Chem Phys 18: 14017–14022. Available: http://dx.doi.org/10.1039/c6cp01786j.Sponsors
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). Computational resources were provided by the Supercomputing Laboratory of KAUST.Publisher
Royal Society of Chemistry (RSC)Journal
Phys. Chem. Chem. Phys.PubMed ID
27156360Additional Links
http://pubs.rsc.org/en/content/articlehtml/2016/cp/c6cp01786jae974a485f413a2113503eed53cd6c53
10.1039/c6cp01786j
Scopus Count
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