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

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    Type
    Article
    Authors
    Gandi, Appala
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2016
    Permanent link to this record
    http://hdl.handle.net/10754/621543
    
    Metadata
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    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.
    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.
    DOI
    10.1039/c6cp01786j
    PubMed ID
    27156360
    Additional Links
    http://pubs.rsc.org/en/content/articlehtml/2016/cp/c6cp01786j
    ae974a485f413a2113503eed53cd6c53
    10.1039/c6cp01786j
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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