Electronic structure of a thermoelectric material: CsBi4Te6
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
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.
Semiconductors, Electronic structure, Optical properties
Engineering and Technology
IdentifiersURN: urn:nbn:se:kth:diva-38070DOI: 10.1016/j.jpcs.2008.04.010ISI: 000260142000034ScopusID: 2-s2.0-50949106683OAI: oai:DiVA.org:kth-38070DiVA: diva2:436279
4th International Conference on Study of Matter at Extreme Conditions Location: Miami Beach, FL Date: APR 15-20, 2007 2011-08-232011-08-222011-08-23Bibliographically approved