The LDA+DMFT route to identify good thermoelectrics

Details The LDA+DMFT route to identify good thermoelectrics The LDA+DMFT route to identify good thermoelectrics

2009-03-17

arxiv.org/abs/0903.2994v1

in PROPERTIES AND APPLICATIONS OF THERMOELECTRIC MATERIALS-THE SEARCH FOR NEW MATERIALS FOR THERMOELECTRIC DEVICES,eds.V.Zlati

Physics

Condensed Matter

Strongly Correlated Electrons

17 pages, 9 figures; to be published in 'Properties and Applications of Thermoelectric Materials', editors V. Zlatic and A. He

Scientific paper

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.

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