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Pressure-Induced Enhancement of Thermoelectric Figure of Merit and Structural Phase Transition in TiNiSn
J.L. Baker, C. Park, C. Kenney-Benson, V.K. Sharma, , G. Vaitheeswaran, C.J. Pickard, A. Cornelius, N. Velisavljevic, R.S. Kumar
Published in American Chemical Society
2021
PMID: 33470818
Volume: 12
   
Issue: 3
Pages: 1046 - 1051
Abstract
Half-Heusler thermoelectric materials are potential candidates for high thermoelectric efficiency. We report high-pressure thermoelectric and structural property measurements, density functional theory calculations on the half-Heusler material TiNiSn, and an increase of 15% in the relative dimensionless figure of merit, ZT, around 3 GPa. Thermal and electrical properties were measured utilizing a specialized sample cell assembly designed for the Paris-Edinburgh large-volume press to a maximum pressure of 3.5 GPa. High-pressure structural measurements performed up to 50 GPa in a diamond-anvil cell indicated the emergence of a new high-pressure phase around 20 GPa. A first-principles structure search performed using an ab initio random structure search approach identified the high-pressure phase as an orthorhombic type, in good agreement with the experimental results. © 2021 American Chemical Society.
About the journal
JournalData powered by TypesetJournal of Physical Chemistry Letters
PublisherData powered by TypesetAmerican Chemical Society
ISSN19487185