Thermoelectric properties of rhodates: layered beta SrRh2O4 and spinel ZnRh2O4
Journal Article
·
· Physical Review B
- ORNL
- Central Michigan University, Mt. Pleasant
Density functional calculations are used to obtain the electronic structure of {beta}-SrRh{sub 2}O{sub 4} in comparison with spinel ZnRh{sub 2}O{sub 4}. Both materials are band insulators, with substantial crystal field induced band gaps, reflecting strong transition-metal-O hybridization. However, due to the bonding topology in these materials, the valence bands are very narrow. This leads to high thermopowers within standard Boltzmann transport theory, and indicates that they can be the basis of good thermoelectric materials provided that they can be doped into metallic states with reasonable carrier mobility. In the case of {beta}-SrRh{sub 2}O{sub 4}, scattering due to Sr disorder is important. Also, again in {beta}-SrRh{sub 2}O{sub 4}, the band gap may be large enough to be of interest for photoelectrochemical H{sub 2} production.
- Research Organization:
- Oak Ridge National Laboratory (ORNL)
- Sponsoring Organization:
- EE USDOE - Office of Energy Efficiency and Renewable Energy (EE)
- DOE Contract Number:
- AC05-00OR22725
- OSTI ID:
- 931690
- Journal Information:
- Physical Review B, Journal Name: Physical Review B Journal Issue: 3 Vol. 75; ISSN PRBMDO; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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