Electron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloys
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Permanent link to this recordhttp://hdl.handle.net/10754/621543
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AbstractWe 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.
CitationGandi 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.
SponsorsThe 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.
PublisherRoyal Society of Chemistry (RSC)
JournalPhys. Chem. Chem. Phys.
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