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Title: High thermoelectric performance enabled by convergence of nested conduction bands in Pb₇Bi₄Se₁₃ with low thermal conductivity
Authors: Hu, Lei
Fang, Yue-Wen
Qin, Feiyu
Cao, Xun
Zhao, Xiaoxu
Luo, Yubo
Repaka, Durga Venkata Maheswar
Luo, Wenbo
Suwardi, Ady
Soldi, Thomas
Aydemir, Umut
Huang, Yizhong
Liu, Zheng
Hippalgaonkar, Kedar
Snyder, G. Jeffrey
Xu, Jianwei
Yan, Qingyu
Keywords: Engineering::Materials::Energy materials
Issue Date: 2021
Source: Hu, L., Fang, Y., Qin, F., Cao, X., Zhao, X., Luo, Y., Repaka, D. V. M., Luo, W., Suwardi, A., Soldi, T., Aydemir, U., Huang, Y., Liu, Z., Hippalgaonkar, K., Snyder, G. J., Xu, J. & Yan, Q. (2021). High thermoelectric performance enabled by convergence of nested conduction bands in Pb₇Bi₄Se₁₃ with low thermal conductivity. Nature Communications, 12, 4793-.
Project: MOE2018-T2-1-010 
SERC 1527200022 
Journal: Nature Communications 
Abstract: Thermoelectrics enable waste heat recovery, holding promises in relieving energy and environmental crisis. Lillianite materials have been long-term ignored due to low thermoelectric efficiency. Herein we report the discovery of superior thermoelectric performance in Pb7Bi4Se13 based lillianites, with a peak Figure of merit, zT of 1.35 at 800 K and a high average zT of 0.92 (450 - 800 K). A unique quality factor is established to predict and evaluate thermoelectric performances. It considers both band nonparabolicity and band gaps, commonly negligible in conventional quality factors. Such appealing performance is attributed to the convergence of effectively nested conduction bands, providing a high number of valley degeneracy, and a low thermal conductivity, stemming from large lattice anharmonicity, low-frequency localized Einstein modes and the coexistence of high-density moiré fringes and nanoscale defects. This work rekindles the vision that Pb7Bi4Se13 based lillianites are promising candidates for highly efficient thermoelectric energy conversion.
ISSN: 2041-1723
DOI: 10.1038/s41467-021-25119-z
Schools: School of Materials Science and Engineering 
Organisations: Institute of Materials Research and Engineering, A*STAR 
Rights: © 2021 The Author(s). This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit licenses/by/4.0/.
Fulltext Permission: open
Fulltext Availability: With Fulltext
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