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NATO Science for Peace and Security Series B: Physics and Biophysics, p. 141-157

DOI: 10.1007/978-90-481-2892-1_9

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The LDA+DMFT route to identify good thermoelectrics

Journal article published in 2009 by K. Held, R. Arita ORCID, V. I. Anisimov, K. Kuroki
This paper is available in a repository.
This paper is available in a repository.

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Abstract

For technical applications thermoelectric materials with a high figure of merit are desirable, and strongly correlated electron systems are very promising in this respect. Since effects of bandstructure_and_ electronic correlations play an important role for getting large figure of merits, the combination of local density approximation_and_ dynamical mean field theory is an ideal tool for the computational materials design of new thermoelectrics as well as to help us understand the mechanisms leading to large figures of merits in certain materials. This conference proceedings provides for a brief introduction to the method and reviews recent results for LiRh_2O_4. ; Comment: 17 pages, 9 figures; to be published in 'Properties and Applications of Thermoelectric Materials', editors V. Zlatic and A. Hewson