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dc.contributor.authorGandi, Appala
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2016-11-03T08:31:47Z
dc.date.available2016-11-03T08:31:47Z
dc.date.issued2016
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.
dc.identifier.issn1463-9076
dc.identifier.issn1463-9084
dc.identifier.pmid27156360
dc.identifier.doi10.1039/c6cp01786j
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.
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.
dc.publisherRoyal Society of Chemistry (RSC)
dc.relation.urlhttp://pubs.rsc.org/en/content/articlehtml/2016/cp/c6cp01786j
dc.titleElectron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloys
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalPhys. Chem. Chem. Phys.
kaust.personGandi, Appala
kaust.personSchwingenschlögl, Udo
kaust.acknowledged.supportUnitSupercomputing Laboratory


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