[Zurück]

R. Arita, K. Kuroki, K. Held, A. Lukoyanov, S. Skornyakov, V. Anisimov:
"Origin of large thermopower in LiRh₂O₄: Calculation of the Seebeck coefficient by the combination of local density approximation and dynamical mean-field theory";
Physical Review B, 78 (2008), S. 115121-1 - 115121-5.

Motivated by the newly synthesized mixed-valent spinel LiRh2O4 for which a large thermopower is observed in the metallic cubic phase above 230 K [Y. Okamoto et al., Phys. Rev. Lett. 101, 086404 (2008)], we calculate the Seebeck coefficient by the combination of local density approximation and dynamical mean-field theory (LDA+DMFT). The experimental values are well reproduced not only by LDA+DMFT but also by the less involved Boltzmann equation approach. A careful analysis of the latter shows unexpectedly that the origin of the large thermopower shares a common root with a very different oxide: NaxCoO2. We also discuss how it is possible to further increase the power factor of LiRh2O4 through doping, which makes the material even more promising for technological applications.

http://dx.doi.org/10.1103/PhysRevB.78.115121

http://dx.doi.org/10.1103/PhysRevB.78.115121