Pressure-Induced Enhancement of Thermoelectric Figure of Merit and Structural Phase Transition in TiNiSn.
Baker, Jason L
Sharma, Vineet Kumar
The journal of physical chemistry letters
American Chemical Society
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Baker, J. L., Park, C., Kenney-Benson, C., Sharma, V. K., Kanchana, V., Vaitheeswaran, G., Pickard, C., et al. (2021). Pressure-Induced Enhancement of Thermoelectric Figure of Merit and Structural Phase Transition in TiNiSn.. The journal of physical chemistry letters, 12 (3), 1046-1051. https://doi.org/10.1021/acs.jpclett.0c03609
Half-Heusler thermoelectric materials are potential candidates for high thermoelectric efficiency. We report high-pressure thermoelectric, 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.
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External DOI: https://doi.org/10.1021/acs.jpclett.0c03609
This record's URL: https://www.repository.cam.ac.uk/handle/1810/316155
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