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    Thermoelectric Figure-of-Merit of Fully Dense Single-Crystalline SnSe

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    Type
    Article
    Authors
    Wei, Pai-Chun
    Bhattacharya, Sriparna
    Liu, Yu Fei
    Liu, Fengjiao
    He, Jian
    Tung, Yung Hsiang
    Yang, Chun Chuen
    Hsing, Cheng Rong
    Nguyen, Duc Long
    Wei, Ching Ming
    Chou, Mei Yin
    Lai, Yen Chung
    Hung, Tsu Lien
    Guan, Syu You
    Chang, Chia Seng
    Wu, Hsin Jay
    Lee, Chi Hung
    Li, Wen Hsien
    Hermann, Raphael P.
    Chen, Yang Yuan
    Rao, Apparao M.
    KAUST Department
    Computer, Electrical and Mathematical Sciences and Engineering (CEMSE) Division
    Date
    2019-03-19
    Online Publication Date
    2019-03-19
    Print Publication Date
    2019-03-31
    Permanent link to this record
    http://hdl.handle.net/10754/631790
    
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    Abstract
    Single-crystalline SnSe has attracted much attention because of its record high figure-of-merit ZT ≈ 2.6; however, this high ZT has been associated with the low mass density of samples which leaves the intrinsic ZT of fully dense pristine SnSe in question. To this end, we prepared high-quality fully dense SnSe single crystals and performed detailed structural, electrical, and thermal transport measurements over a wide temperature range along the major crystallographic directions. Our single crystals were fully dense and of high purity as confirmed via high statistics 119Sn Mössbauer spectroscopy that revealed <0.35 at. % Sn(IV) in pristine SnSe. The temperature-dependent heat capacity (Cp) provided evidence for the displacive second-order phase transition from Pnma to Cmcm phase at Tc ≈ 800 K and a small but finite Sommerfeld coefficient γ0 which implied the presence of a finite Fermi surface. Interestingly, despite its strongly temperature-dependent band gap inferred from density functional theory calculations, SnSe behaves like a low-carrier-concentration multiband metal below 600 K, above which it exhibits a semiconducting behavior. Notably, our high-quality single-crystalline SnSe exhibits a thermoelectric figure-of-merit ZT ∼1.0, ∼0.8, and ∼0.25 at 850 K along the b, c, and a directions, respectively.
    Citation
    Wei P-C, Bhattacharya S, Liu Y-F, Liu F, He J, et al. (2019) Thermoelectric Figure-of-Merit of Fully Dense Single-Crystalline SnSe. ACS Omega 4: 5442–5450. Available: http://dx.doi.org/10.1021/acsomega.8b03323.
    Sponsors
    The authors wish to acknowledge Prof. Terry Tritt (Clemson University) for providing access to low temperature measurement facilities in his laboratory, and Prof. Julian Goldsmid, Dr. Pooja Puneet, and Prakash Parajuli for valuable discussions. We also thank National Institute of Standards and Technology and Dr. Jeffrey W. Lynn for providing the neutron beam time that made the neutron rocking curve measurements possible. R.P.H. thanks Dipanshu Bansal and Jiawang Hong for numerical phonon data in refs (11) and (26).
    Publisher
    American Chemical Society (ACS)
    Journal
    ACS Omega
    DOI
    10.1021/acsomega.8b03323
    Additional Links
    https://pubs.acs.org/doi/10.1021/acsomega.8b03323
    ae974a485f413a2113503eed53cd6c53
    10.1021/acsomega.8b03323
    Scopus Count
    Collections
    Articles; Computer, Electrical and Mathematical Sciences and Engineering (CEMSE) Division

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