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Issue 20, 2017
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Pressure-induced insulator-to-metal transitions for enhancing thermoelectric power factor in bismuth telluride-based alloys

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Abstract

First-principles calculations revealing insulator-to-metal transitions in Bi2Te3 and Bi2Te2Se, at 9 GPa and 12.5 GPa, respectively, match with prior experiments. Our electronic band structure calculations and accompanying Boltzmann transport calculations of thermoelectric properties for Bi2−xSbxTe2−ySey alloys explain and predict large power factor changes induced by pressure. Complex band degeneracy changes preceding insulator-to-metal transitions significantly alter the density of states near the Fermi level, and foster the disentangling of the unfavorable coupling between Seebeck coefficient and electrical conductivity. Our findings on pressure-induced changes in thermoelectric power factor provide insights for designing V2VI3-based high-performance thermoelectric materials through strategies such as alloying, high-pressure processing, and strain engineering.

Graphical abstract: Pressure-induced insulator-to-metal transitions for enhancing thermoelectric power factor in bismuth telluride-based alloys

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Publication details

The article was received on 02 Mar 2017, accepted on 27 Apr 2017 and first published on 09 May 2017


Article type: Paper
DOI: 10.1039/C7CP01371J
Citation: Phys. Chem. Chem. Phys., 2017,19, 12784-12793
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    Pressure-induced insulator-to-metal transitions for enhancing thermoelectric power factor in bismuth telluride-based alloys

    A. Gaul, Q. Peng, D. J. Singh, G. Ramanath and T. Borca-Tasciuc, Phys. Chem. Chem. Phys., 2017, 19, 12784
    DOI: 10.1039/C7CP01371J

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