Large thermoelectric power factor from crystal symmetry-protected non-bonding orbital in half-Heuslers

Zhou, Jiawei; Zhu, Hangtian; Liu, Te -Huan; Song, Qichen; He, Ran; Mao, Jun; Liu, Zihang; Ren, Wuyang; Liao, Bolin; Singh, David J.; Ren, Zhifeng; Chen, Gang

doi:10.1038/s41467-018-03866-w

Title: Large thermoelectric power factor from crystal symmetry-protected non-bonding orbital in half-Heuslers

Journal Article · 29 April 2018 · Nature Communications

DOI: https://doi.org/10.1038/s41467-018-03866-w · OSTI ID:1526317

^[1]; Zhu, Hangtian ^[2]; Liu, Te -Huan ^[3];

^[3]; He, Ran ^[4];

^[5]; Liu, Zihang ^[2]; Ren, Wuyang ^[2]; Liao, Bolin ^[6]; Singh, David J. ^[7]; Ren, Zhifeng ^[2];

^[3]

Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Mechanical Engineering; None
Univ. of Houston, Houston, TX (United States). Dept. of Physics and Texas Center for Superconductivity
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Mechanical Engineering
Institut für Metallische Werkstoffe, Dresden (Germany). IFW Dresden
Univ. of Houston, Houston, TX (United States). Dept. of Physics and Texas Center for Superconductivity and Dept. of Mechanical Engineering
Univ. of California, Santa Barbara, CA (United States). Dept. of Mechanical Engineering
Univ. of Missouri, Columbia, MO (United States). Dept. of Physics and Astronomy

Modern society relies on high charge mobility for efficient energy production and fast information technologies. The power factor of a material—the combination of electrical conductivity and Seebeck coefficient—measures its ability to extract electrical power from temperature differences. Recent advancements in thermoelectric materials have achieved enhanced Seebeck coefficient by manipulating the electronic band structure. However, this approach generally applies at relatively low conductivities, preventing the realization of exceptionally high-power factors. In contrast, half-Heusler semiconductors have been shown to break through that barrier in a way that could not be explained. Here, we show that symmetry-protected orbital interactions can steer electron–acoustic phonon interactions towards high mobility. This high-mobility regime enables large power factors in half-Heuslers, well above the maximum measured values. We anticipate that our understanding will spark new routes to search for better thermoelectric materials, and to discover high electron mobility semiconductors for electronic and photonic applications.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC); Massachusetts Institute of Technology, Cambridge, MA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0001299

OSTI ID:: 1526317

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 9; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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