AI Article Synopsis
- Half-Heusler thermoelectric materials, particularly TiNiSn, show promise for high thermoelectric efficiency, with a notable 15% increase in the dimensionless figure of merit (ZT) at around 3 GPa.
- Specialized measurements of thermal and electrical properties were conducted using a unique sample cell assembly in a high-pressure environment, reaching up to 3.5 GPa.
- Further high-pressure structural investigations revealed a new orthorhombic phase emerging at approximately 20 GPa, confirmed through first-principles calculations aligning with experimental findings.
Article 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.
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| http://dx.doi.org/10.1021/acs.jpclett.0c03609 | DOI Listing |
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