Electronic and Local Crystal Structures of the ZrNiSn Half-Heusler Thermoelectric Material

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Author(s)

    • Miyazaki Hidetoshi
    • Center for Fostering Young and Innovative Researchers, Nagoya Institute of Technology
    • Kimura Shin-ichi
    • UVSOR Facility, Institute for Molecular Science (IMS)|School of Physical Sciences, The Graduate University for Advanced Studies (SOKENDAI)
    • Nishino Yoichi
    • Department of Frontier Materials, Nagoya Institute of Technology
    • Nakano Teruaki
    • Department of Frontier Materials, Nagoya Institute of Technology
    • Inukai Manabu
    • Department of Frontier Materials, Nagoya Institute of Technology
    • Soda Kazuo
    • Department of Quantum Engineering, Graduate School of Engineering, Nagoya University
    • Izumi Yudai
    • Japan Synchrotron Radiation Research Institute (JASRI)
    • Kim Jungeun
    • Japan Synchrotron Radiation Research Institute (JASRI)
    • Matsunami Masaharu
    • UVSOR Facility, Institute for Molecular Science (IMS)|School of Physical Sciences, The Graduate University for Advanced Studies (SOKENDAI)

Abstract

We investigated the electronic and local crystal structures of the sintered half-Heusler ZrNiSn alloy by synchrotron radiation photoemission spectroscopy (SR-PES), synchrotron radiation X-ray powder diffraction (SR-XRD) measurements, and electronic band structure calculations to clarify mechanisms leading to improvements in the thermoelectric properties of materials. In contrast to the predicted semiconductor-like electronic structure, the SR-PES results show a pseudo-gap at the Fermi level, and the SR-XRD analysis reveals an interstitial Ni disorder in the half-Heusler structure. An improvement in the thermoelectric properties can be achieved by material design based on the pseudo-gap electronic structure of half-Heusler ZrNiSn-based alloys.

Journal

  • MATERIALS TRANSACTIONS

    MATERIALS TRANSACTIONS 55(8), 1209-1214, 2014

    The Japan Institute of Metals and Materials

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