Experimental validation of high thermoelectric performance in RECuZnP2 predicted by high-throughput DFT calculations
Journal article published in 2021 by
Jan-Hendrik Pöhls 
,
Sevan Chanakian ,
Junsoo Park ,
Alex M. Ganose,
Alexander Dunn ,
Nick Friesen,
Amit Bhattacharya,
Brea Hogan,
Sabah Bux,
Anubhav Jain ,
Arthur Mar,
Alexandra Zevalkink
,
Sevan Chanakian ,
Junsoo Park ,
Alex M. Ganose,
Alexander Dunn ,
Nick Friesen,
Amit Bhattacharya,
Brea Hogan,
Sabah Bux,
Anubhav Jain ,
Arthur Mar,
Alexandra Zevalkink
This paper is made freely available by the publisher.
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Abstract
Predictions of high thermoelectric performance in RECuZnP2 were verified by elastic, electrical, and thermal measurements. Low thermal conductivities result from strong anharmonicity, with electron transport limited by polar optical phonons.