Band structure engineering through orbital interaction for enhanced thermoelectric power factor
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 struc...
| Main Authors: | , , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
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American Institute of Physics
2014
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| Online Access: | http://hdl.handle.net/1721.1/91663 https://orcid.org/0000-0002-8416-455X |
| _version_ | 1826208613603999744 |
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| author | Zhu, Hong Sun, Wenhao Armiento, Rickard R. Lazic, Predrag Ceder, Gerbrand |
| author2 | Massachusetts Institute of Technology. Department of Materials Science and Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Materials Science and Engineering Zhu, Hong Sun, Wenhao Armiento, Rickard R. Lazic, Predrag Ceder, Gerbrand |
| author_sort | Zhu, Hong |
| collection | MIT |
| description | 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. |
| first_indexed | 2024-09-23T14:08:05Z |
| format | Article |
| id | mit-1721.1/91663 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T14:08:05Z |
| publishDate | 2014 |
| publisher | American Institute of Physics |
| record_format | dspace |
| spelling | mit-1721.1/916632022-10-01T19:24:36Z Band structure engineering through orbital interaction for enhanced thermoelectric power factor Zhu, Hong Sun, Wenhao Armiento, Rickard R. Lazic, Predrag Ceder, Gerbrand Massachusetts Institute of Technology. Department of Materials Science and Engineering Zhu, Hong Sun, Wenhao Ceder, Gerbrand 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. Swedish Research Council ((VR) Grant No. 621-2011-4249) Swedish Research Council (Linnaeus Environment at Linkoping on Nanoscale Functional Materials (LiLi-NFM)) United States. Office of Naval Research (Contract No. N00014-11-1-0212) 2014-11-20T19:31:49Z 2014-11-20T19:31:49Z 2014-02 2014-01 Article http://purl.org/eprint/type/JournalArticle 0003-6951 1077-3118 http://hdl.handle.net/1721.1/91663 Zhu, Hong, Wenhao Sun, Rickard Armiento, Predrag Lazic, and Gerbrand Ceder. “Band Structure Engineering through Orbital Interaction for Enhanced Thermoelectric Power Factor.” Appl. Phys. Lett. 104, no. 8 (February 24, 2014): 082107. © 2014 AIP Publishing LLC. https://orcid.org/0000-0002-8416-455X en_US http://dx.doi.org/10.1063/1.4866861 Applied Physics Letters Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. application/pdf American Institute of Physics MIT web domain |
| spellingShingle | Zhu, Hong Sun, Wenhao Armiento, Rickard R. Lazic, Predrag Ceder, Gerbrand Band structure engineering through orbital interaction for enhanced thermoelectric power factor |
| title | Band structure engineering through orbital interaction for enhanced thermoelectric power factor |
| title_full | Band structure engineering through orbital interaction for enhanced thermoelectric power factor |
| title_fullStr | Band structure engineering through orbital interaction for enhanced thermoelectric power factor |
| title_full_unstemmed | Band structure engineering through orbital interaction for enhanced thermoelectric power factor |
| title_short | Band structure engineering through orbital interaction for enhanced thermoelectric power factor |
| title_sort | band structure engineering through orbital interaction for enhanced thermoelectric power factor |
| url | http://hdl.handle.net/1721.1/91663 https://orcid.org/0000-0002-8416-455X |
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