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Published in 2021 at "Physical Review B"
DOI: 10.1103/physrevb.103.035421
Abstract: The thermoelectric figure of merit $ZT$ comprises electronic and vibrational contributions that drastically change across phase transitions, and the most common theoretical ab initio approach to thermoelectricity fails to describe the evolution of $ZT$ across…
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Keywords:
structural transition;
snse monolayers;
thermoelectricity;
transition ... See more keywords