High thermoelectric performance by resonant dopant indium in nanostructured SnTe
Qian Zhang,Bolin Liao,Yucheng Lan,Kevin Lukas,Weishu Liu,Keivan Esfarjani,Cyril Opeil,David Broido,Gang Chen,Zhifeng Ren +9 more
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TLDR
This work studied the thermoelectric properties of nanostructured SnTe with different dopants, and found indium-doped SnTe showed extraordinarily large Seebeck coefficients that cannot be explained properly by the conventional two-valence band model.Abstract:
From an environmental perspective, lead-free SnTe would be preferable for solid-state waste heat recovery if its thermoelectric figure-of-merit could be brought close to that of the lead-containing chalcogenides. In this work, we studied the thermoelectric properties of nanostructured SnTe with different dopants, and found indium-doped SnTe showed extraordinarily large Seebeck coefficients that cannot be explained properly by the conventional two-valence band model. We attributed this enhancement of Seebeck coefficients to resonant levels created by the indium impurities inside the valence band, supported by the first-principles simulations. This, together with the lower thermal conductivity resulting from the decreased grain size by ball milling and hot pressing, improved both the peak and average nondimensional figure-of-merit (ZT) significantly. A peak ZT of ∼1.1 was obtained in 0.25 atom % In-doped SnTe at about 873 K.read more
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References
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Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi,Stefano Baroni,Nicola Bonini,Matteo Calandra,Roberto Car,Carlo Cavazzoni,Davide Ceresoli,Guido L. Chiarotti,Matteo Cococcioni,Ismaila Dabo,A. Dal Corso,Stefano Fabris,Guido Fratesi,S. de Gironcoli,Ralph Gebauer,U. Gerstmann,Christos Gougoussis,Anton Kokalj,Michele Lazzeri,Layla Martin-Samos,Nicola Marzari,Francesco Mauri,Riccardo Mazzarello,Stefano Paolini,Alfredo Pasquarello,Lorenzo Paulatto,Carlo Sbraccia,Sandro Scandolo,Gabriele Sclauzero,Ari P. Seitsonen,Alexander Smogunov,Paolo Umari,Renata M. Wentzcovitch +32 more
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Journal ArticleDOI
High-Thermoelectric Performance of Nanostructured Bismuth Antimony Telluride Bulk Alloys
Bed Poudel,Qing Hao,Yi Ma,Yucheng Lan,Austin J. Minnich,Bo Yu,Xiao Yan,Dezhi Wang,Andrew Muto,Daryoosh Vashaee,Xiaoyuan Chen,Jun-Ming Liu,Mildred S. Dresselhaus,Gang Chen,Zhifeng Ren +14 more
TL;DR: Electrical transport measurements, coupled with microstructure studies and modeling, show that the ZT improvement is the result of low thermal conductivity caused by the increased phonon scattering by grain boundaries and defects, which makes these materials useful for cooling and power generation.