MATERIALS TRANSACTIONS
Online ISSN : 1347-5320
Print ISSN : 1345-9678
Electronic and Local Crystal Structures of the ZrNiSn Half-Heusler Thermoelectric Material
Hidetoshi MiyazakiTeruaki NakanoManabu InukaiKazuo SodaYudai IzumiTakayuki MuroJungeun KimMasaki TakataMasaharu MatsunamiShin-ichi KimuraYoichi Nishino
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2014 Volume 55 Issue 8 Pages 1209-1214

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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.

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© 2014 The Thermoelectrics Society of Japan
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