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Band structure engineering through orbital interaction for enhanced thermoelectric power factor
Massachusetts Institute of Technology, Cambridge, USA.
Massachusetts Institute of Technology, Cambridge, USA.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.ORCID iD: 0000-0002-5571-0814
Rudjer Boskovic Institute, Zagreb, Croatia.
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2014 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 104, 082107-1-082107-5 p.Article in journal (Refereed) Published
Abstract [en]

Band structure engineering for specific electronic or optical properties is essential for the further development of many important technologies including thermoelectrics, optoelectronics, and microelectronics. In this work, we report orbital interaction as a powerful tool to finetune the band structure and the transport properties of charge carriers in bulk crystalline semiconductors. The proposed mechanism of orbital interaction on band structure is demonstrated for IV-VI thermoelectric semiconductors. For IV-VI materials, we find that the convergence of multiple carrier pockets not only displays a strong correlation with the s-p and spin-orbit coupling but also coincides with the enhancement of power factor. Our results suggest a useful path to engineer the band structure and an enticing solid-solution design principle to enhance thermoelectric performance.

Place, publisher, year, edition, pages
American Institute of Physics (AIP), 2014. Vol. 104, 082107-1-082107-5 p.
Keyword [en]
Thermoelectrics, Band structure, Power factor, Seebeck effect
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-105274DOI: 10.1063/1.4866861ISI: 000332619100064OAI: oai:DiVA.org:liu-105274DiVA: diva2:705216
Funder
Swedish Research Council, 621-2011-4249
Available from: 2014-03-14 Created: 2014-03-14 Last updated: 2017-12-05Bibliographically approved

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