Vacancy-mediated anomalous phononic and electronic transport in defective half-Heusler ZrNiBi

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dc.citation.articleNumber4722en_US
dc.citation.journalTitleNature Communicationsen_US
dc.citation.volumeNumber14en_US
dc.contributor.authorRen, Wuyangen_US
dc.contributor.authorXue, Wenhuaen_US
dc.contributor.authorGuo, Shupingen_US
dc.contributor.authorHe, Ranen_US
dc.contributor.authorDeng, Liangzien_US
dc.contributor.authorSong, Shaoweien_US
dc.contributor.authorSotnikov, Andreien_US
dc.contributor.authorNielsch, Korneliusen_US
dc.contributor.authorvan den Brink, Jeroenen_US
dc.contributor.authorGao, Guanhuien_US
dc.contributor.authorChen, Shuoen_US
dc.contributor.authorHan, Yimoen_US
dc.contributor.authorWu, Jiangen_US
dc.contributor.authorChu, Ching-Wuen_US
dc.contributor.authorWang, Zhimingen_US
dc.contributor.authorWang, Yumeien_US
dc.contributor.authorRen, Zhifengen_US
dc.date.accessioned2024-05-03T15:51:17Zen_US
dc.date.available2024-05-03T15:51:17Zen_US
dc.date.issued2023en_US
dc.description.abstractStudies of vacancy-mediated anomalous transport properties have flourished in diverse fields since these properties endow solid materials with fascinating photoelectric, ferroelectric, and spin-electric behaviors. Although phononic and electronic transport underpin the physical origin of thermoelectrics, vacancy has only played a stereotyped role as a scattering center. Here we reveal the multifunctionality of vacancy in tailoring the transport properties of an emerging thermoelectric material, defective n-type ZrNiBi. The phonon kinetic process is mediated in both propagating velocity and relaxation time: vacancy-induced local soft bonds lower the phonon velocity while acoustic-optical phonon coupling, anisotropic vibrations, and point-defect scattering induced by vacancy shorten the relaxation time. Consequently, defective ZrNiBi exhibits the lowest lattice thermal conductivity among the half-Heusler family. In addition, a vacancy-induced flat band features prominently in its electronic band structure, which is not only desirable for electron-sufficient thermoelectric materials but also interesting for driving other novel physical phenomena. Finally, better thermoelectric performance is established in a ZrNiBi-based compound. Our findings not only demonstrate a promising thermoelectric material but also promote the fascinating vacancy-mediated anomalous transport properties for multidisciplinary explorations.en_US
dc.identifier.citationRen, W., Xue, W., Guo, S., He, R., Deng, L., Song, S., Sotnikov, A., Nielsch, K., van den Brink, J., Gao, G., Chen, S., Han, Y., Wu, J., Chu, C.-W., Wang, Z., Wang, Y., & Ren, Z. (2023). Vacancy-mediated anomalous phononic and electronic transport in defective half-Heusler ZrNiBi. Nature Communications, 14(1), 4722. https://doi.org/10.1038/s41467-023-40492-7en_US
dc.identifier.digitals41467-023-40492-7en_US
dc.identifier.doihttps://doi.org/10.1038/s41467-023-40492-7en_US
dc.identifier.urihttps://hdl.handle.net/1911/115603en_US
dc.language.isoengen_US
dc.publisherSpringer Natureen_US
dc.rightsExcept where otherwise noted, this work is licensed under a Creative Commons Attribution (CC BY) license. Permission to reuse, publish, or reproduce the work beyond the terms of the license or beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.en_US
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/en_US
dc.titleVacancy-mediated anomalous phononic and electronic transport in defective half-Heusler ZrNiBien_US
dc.typeJournal articleen_US
dc.type.dcmiTexten_US
dc.type.publicationpublisher versionen_US
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