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    LaBiTe3: An unusual thermoelectric material

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    Type
    Article
    Authors
    Singh, Nirpendra cc
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2014-06-18
    Online Publication Date
    2014-06-18
    Print Publication Date
    2014-09
    Permanent link to this record
    http://hdl.handle.net/10754/563604
    
    Metadata
    Show full item record
    Abstract
    Using first-principles calculations and semi-classical Boltzmann transport theory, the thermoelectric properties of LaBiTe3 are studied. The band gap and, hence, the thermoelectric response are found to be easily tailored by application of strain. Independent of the temperature, the figure of merit turns out to be maximal at a doping of about 1.6 × 1021 cm-3. At room temperature we obtain values of 0.4 and 0.5 for unstrained and moderately strained LaBiTe3, which increases to 1.1 and 1.3 at 800 K. A large spin splitting is observed in the conduction band at the T point. Therefore, LaBiTe3 merges characteristics that are interesting for thermoelectric as well as spintronic devices.
    Citation
    Singh, N., & Schwingenschlögl, U. (2014). LaBiTe3: An unusual thermoelectric material. Physica Status Solidi (RRL) - Rapid Research Letters, 08(09), 805–808. doi:10.1002/pssr.201409110
    Sponsors
    We thank KAUST research computing for providing the computational resources for this study. N.S. acknowledges SABIC for financial support. Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).
    Publisher
    Wiley
    Journal
    physica status solidi (RRL) - Rapid Research Letters
    DOI
    10.1002/pssr.201409110
    ae974a485f413a2113503eed53cd6c53
    10.1002/pssr.201409110
    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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