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arxiv: 0806.2506 · v2 · submitted 2008-06-16 · ❄️ cond-mat.str-el · cond-mat.mtrl-sci

Origin of large thermopower in LiRh₂O₄

classification ❄️ cond-mat.str-el cond-mat.mtrl-sci
keywords largelirhthermopowerdmftoriginaboveanalysisapplications
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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.

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