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Electronic structure of a thermoelectric material: CsBi4Te6
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
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.

Place, publisher, year, edition, pages
2008. Vol. 69, no 9, 2274-2276 p.
Keyword [en]
Semiconductors, Electronic structure, Optical properties
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:kth:diva-38070DOI: 10.1016/j.jpcs.2008.04.010ISI: 000260142000034Scopus ID: 2-s2.0-50949106683OAI: oai:DiVA.org:kth-38070DiVA: diva2:436279
Note
4th International Conference on Study of Matter at Extreme Conditions Location: Miami Beach, FL Date: APR 15-20, 2007 Available from: 2011-08-23 Created: 2011-08-22 Last updated: 2017-12-08Bibliographically approved

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