Bipolar conduction asymmetries lead to ultra-high thermoelectric power factor

نویسندگان

چکیده

Low band gap thermoelectric materials suffer from bipolar effects at high temperatures, with increased electronic thermal conductivity and reduced Seebeck coefficient, leading to power factor low ZT figure of merit. In this work we show that the presence strong transport asymmetries between conduction valence bands can allow phonon-limited finite coefficient values, largely enhanced factors. The factors be achieved significantly larger compared their maximum unipolar counterparts, allowing for doubling We identify behavior in cases half-Heusler family. Using both, advanced Boltzmann calculations realistic material bandstructures, as well model parabolic bands, elaborate on parameters determine effect. then develop a series descriptors which guide machine learning studies identifying such classes extraordinary nearly pristine conditions. For test more than 3000 analytical bandstructures features, 120 possible descriptors, most promising ones contain: i) only structure features easy identification databases, ii) provide much higher correlations, but parameter availability somewhat scarce.

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ژورنال

عنوان ژورنال: Applied Physics Letters

سال: 2022

ISSN: ['1520-8842', '0003-6951', '1077-3118']

DOI: https://doi.org/10.1063/5.0076967