Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2008-06-16
Phys. Rev. B 78, 115121 (2008)
Physics
Condensed Matter
Strongly Correlated Electrons
5 pages, 5 figures
Scientific paper
Motivated by the newly synthesized mixed-valent spinel LiRh$_2$O$_4$ for which a large thermopower is observed in the metallic cubic phase above 230K [Okamoto {\it et al.} (arXiv:0806.2504)], 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: Na$_x$CoO$_2$. We also discuss how it is possible to further increase the powerfactor of LiRh$_2$O$_4$ through doping, which makes the material even more promoising for technological applications.
Anisimov Vladimir I.
Arita Ryotaro
Held Karsten
Kuroki Kazuhiko
Lukoyanov Alexey V.
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