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

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dc.citation.articleNumber4722
dc.citation.journalTitleNature Communications
dc.citation.volumeNumber14
dc.contributor.authorRen, Wuyang
dc.contributor.authorXue, Wenhua
dc.contributor.authorGuo, Shuping
dc.contributor.authorHe, Ran
dc.contributor.authorDeng, Liangzi
dc.contributor.authorSong, Shaowei
dc.contributor.authorSotnikov, Andrei
dc.contributor.authorNielsch, Kornelius
dc.contributor.authorvan den Brink, Jeroen
dc.contributor.authorGao, Guanhui
dc.contributor.authorChen, Shuo
dc.contributor.authorHan, Yimo
dc.contributor.authorWu, Jiang
dc.contributor.authorChu, Ching-Wu
dc.contributor.authorWang, Zhiming
dc.contributor.authorWang, Yumei
dc.contributor.authorRen, Zhifeng
dc.date.accessioned2024-05-03T15:51:17Z
dc.date.available2024-05-03T15:51:17Z
dc.date.issued2023
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.
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/s41467-023-40492-7
dc.identifier.digitals41467-023-40492-7
dc.identifier.doihttps://doi.org/10.1038/s41467-023-40492-7
dc.identifier.urihttps://hdl.handle.net/1911/115603
dc.language.isoeng
dc.publisherSpringer Nature
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.
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.titleVacancy-mediated anomalous phononic and electronic transport in defective half-Heusler ZrNiBi
dc.typeJournal article
dc.type.dcmiText
dc.type.publicationpublisher version
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