Publications in Scientific Journals:
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),
115121-1
- 115121-5.
English abstract:
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.
"Official" electronic version of the publication (accessed through its Digital Object Identifier - DOI)
http://dx.doi.org/10.1103/PhysRevB.78.115121
Electronic version of the publication:
http://dx.doi.org/10.1103/PhysRevB.78.115121
Created from the Publication Database of the Vienna University of Technology.