Electron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloys

Handle URI:
http://hdl.handle.net/10754/621543
Title:
Electron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloys
Authors:
Gandi, Appala; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
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.
Publisher:
Royal Society of Chemistry (RSC)
Journal:
Phys. Chem. Chem. Phys.
Issue Date:
9-May-2016
DOI:
10.1039/c6cp01786j
Type:
Article
ISSN:
1463-9076; 1463-9084
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.
Additional Links:
http://pubs.rsc.org/en/content/articlehtml/2016/cp/c6cp01786j
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorGandi, Appalaen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2016-11-03T08:31:47Z-
dc.date.available2016-11-03T08:31:47Z-
dc.date.issued2016-05-09en
dc.identifier.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.en
dc.identifier.issn1463-9076en
dc.identifier.issn1463-9084en
dc.identifier.doi10.1039/c6cp01786jen
dc.identifier.urihttp://hdl.handle.net/10754/621543-
dc.description.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.en
dc.description.sponsorshipThe 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.en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.relation.urlhttp://pubs.rsc.org/en/content/articlehtml/2016/cp/c6cp01786jen
dc.titleElectron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloysen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalPhys. Chem. Chem. Phys.en
kaust.authorGandi, Appalaen
kaust.authorSchwingenschlögl, Udoen
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