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Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites.

Publication ,  Journal Article
Tang, Y; Gibbs, ZM; Agapito, LA; Li, G; Kim, H-S; Nardelli, MB; Curtarolo, S; Snyder, GJ
Published in: Nature materials
December 2015

Filled skutterudites R(x)Co4Sb12 are excellent n-type thermoelectric materials owing to their high electronic mobility and high effective mass, combined with low thermal conductivity associated with the addition of filler atoms into the void site. The favourable electronic band structure in n-type CoSb3 is typically attributed to threefold degeneracy at the conduction band minimum accompanied by linear band behaviour at higher carrier concentrations, which is thought to be related to the increase in effective mass as the doping level increases. Using combined experimental and computational studies, we show instead that a secondary conduction band with 12 conducting carrier pockets (which converges with the primary band at high temperatures) is responsible for the extraordinary thermoelectric performance of n-type CoSb3 skutterudites. A theoretical explanation is also provided as to why the linear (or Kane-type) band feature is not beneficial for thermoelectrics.

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Published In

Nature materials

DOI

EISSN

1476-4660

ISSN

1476-1122

Publication Date

December 2015

Volume

14

Issue

12

Start / End Page

1223 / 1228

Related Subject Headings

  • Nanoscience & Nanotechnology
 

Citation

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Chicago
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MLA
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Tang, Y., Gibbs, Z. M., Agapito, L. A., Li, G., Kim, H.-S., Nardelli, M. B., … Snyder, G. J. (2015). Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites. Nature Materials, 14(12), 1223–1228. https://doi.org/10.1038/nmat4430
Tang, Yinglu, Zachary M. Gibbs, Luis A. Agapito, Guodong Li, Hyun-Sik Kim, Marco Buongiorno Nardelli, Stefano Curtarolo, and G Jeffrey Snyder. “Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites.Nature Materials 14, no. 12 (December 2015): 1223–28. https://doi.org/10.1038/nmat4430.
Tang Y, Gibbs ZM, Agapito LA, Li G, Kim H-S, Nardelli MB, et al. Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites. Nature materials. 2015 Dec;14(12):1223–8.
Tang, Yinglu, et al. “Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites.Nature Materials, vol. 14, no. 12, Dec. 2015, pp. 1223–28. Epmc, doi:10.1038/nmat4430.
Tang Y, Gibbs ZM, Agapito LA, Li G, Kim H-S, Nardelli MB, Curtarolo S, Snyder GJ. Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites. Nature materials. 2015 Dec;14(12):1223–1228.

Published In

Nature materials

DOI

EISSN

1476-4660

ISSN

1476-1122

Publication Date

December 2015

Volume

14

Issue

12

Start / End Page

1223 / 1228

Related Subject Headings

  • Nanoscience & Nanotechnology