Discovery of high-performance low-cost n-type Mg<sub>3</sub>Sb<sub>2</sub>-based thermoelectric materials with multi-valley conduction bands.

Zhang, Jiawei; Song, Lirong; Pedersen, Steffen Hindborg; Yin, Hao; Hung, Le Thanh; Iversen, Bo Brummerstedt · Nat Commun · 2017

basic_science · Level V

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Abstract

Widespread application of thermoelectric devices for waste heat recovery requires low-cost high-performance materials. The currently available n-type thermoelectric materials are limited either by their low efficiencies or by being based on expensive, scarce or toxic elements. Here we report a low-cost n-type material, Te-doped Mg3Sb1.5Bi0.5, that exhibits a very high figure of merit zT ranging from 0.56 to 1.65 at 300-725 K. Using combined theoretical prediction and experimental validation, we show that the high thermoelectric performance originates from the significantly enhanced power factor because of the multi-valley band behaviour dominated by a unique near-edge conduction band with a sixfold valley degeneracy. This makes Te-doped Mg3Sb1.5Bi0.5 a promising candidate for the low- and intermediate-temperature thermoelectric applications.