The thermoelectric properties of the layered oxides KxRhO 2 (x = 1/2 and 7/8) are investigated by means of the electronic structure, as determined by ab inito calculations and Boltzmann transport theory. In general, the electronic structure of K xRhO 2 is similar to Na xCoO 2, but with strongly enhanced transport. K 7/8RhO 2 exceeds the ultrahigh power factor of Na 0.88CoO 2 reported previously by more than 50%. The roles of the cation concentration and the lattice parameters in the transport properties in this class of compounds are explained. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics