Properties of alkaline-earth-filled skutterudite antimonides:(, Sr, and Ba)
Authors:
- David J. SinghDSDavid J. Singh
- Mao-Hua DuMDMao-Hua Du
- 10 August 2010
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 82 (7)
Abstract
Properties of alkaline-earth-filled skutterudite antimonides based on Fe and Ni are studied using first-principles calculations and Boltzmann transport theory. We find heavy conduction bands and a light-band-heavy-band mixture in the valence bands. The thermopower at high temperature is high for high carrier concentrations up to 0.2 per unit cell for both p type and n type. The results suggest experimental investigation of these materials as potential thermoelectrics.Keywords
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