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Electronic structure of a thermoelectric material: CsBi4Te6
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
2008 (English)In: Journal of Physics and Chemistry of Solids, ISSN 0022-3697, E-ISSN 1879-2553, Vol. 69, no 9, 2274-2276 p.Article in journal (Refereed) Published
Abstract [en]

We have calculated the electronic structure of CsBi4Te6 by means of first-principles self-consistent total-energy calculations within the local-density approximation using the full-potential linear-muffin-tin-orbital method. From our calculated electronic structure we have calculated the frequency dependent dielectric function. Our calculations shows that CsBi4Te6 a semiconductor with a band gap of 0.3 eV. The calculated dielectric function is very anisotropic. Our calculated density of state support the recent experiment of Chung et al. [Science 287 (2000) 10241 that CsBi4Te6 is a high performance thermoelectric material for low temperature applications. (C) 2008 Elsevier Ltd. All rights reserved.

Place, publisher, year, edition, pages
2008. Vol. 69, no 9, 2274-2276 p.
Keyword [en]
Semiconductors, Electronic structure, Optical properties
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-149464DOI: 10.1016/j.jpcs.2008.04.010ISI: 000260142000034OAI: oai:DiVA.org:uu-149464DiVA: diva2:405004
Note
Conference Information: 4th International Conference on Study of Matter at Extreme Conditions Miami Beach, FL, APR 15-20, 2007Available from: 2011-03-20 Created: 2011-03-20 Last updated: 2017-12-11Bibliographically approved

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Luo, WeiAhuja, Rajeev

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