Journal
PHYSICAL REVIEW B
Volume 78, Issue 11, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.78.115121
Keywords
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Funding
- Scientific Research (MEXT, Japan) [19019012, 19014022, 19051016]
- Russian Foundation for Basic Research (RFBR) [07-02-00041]
- Grants-in-Aid for Scientific Research [19014022, 19019012] Funding Source: KAKEN
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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.
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