Conduction band engineering of half-Heusler thermoelectrics using orbital chemistry

Guo, Shuping; Anand, Shashwat; Brod, Madison K.; Zhang, Yongsheng; Snyder, G. Jeffrey

doi:10.1039/D1TA09377K

Title: Conduction band engineering of half-Heusler thermoelectrics using orbital chemistry

Journal Article · 08 February 2022 · Journal of Materials Chemistry. A

DOI: https://doi.org/10.1039/D1TA09377K · OSTI ID:1839820

^[1]; Anand, Shashwat ^[2];

^[2]; Zhang, Yongsheng ^[3];

^[2]

Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei 230031, China, Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208, USA, Institute for Theoretical Solid State Physics, Leibniz IFW Dresden, 01069 Dresden, Germany
Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208, USA
Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei 230031, China, Advanced Research Institute of Multidisciplinary Sciences, Qufu Normal University, Qufu, Shandong Province, 273165, China

Two conduction bands with very different effective masses are usually at the X point in the half-Heusler Brillouin zone. Our orbital phase diagram provides feasible strategies to converge these two bands for thermoelectric enhancement.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1839820

Journal Information:: Journal of Materials Chemistry. A, Journal Name: Journal of Materials Chemistry. A Journal Issue: 6 Vol. 10; ISSN JMCAET; ISSN 2050-7488

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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