期刊
PHYSICAL REVIEW B
卷 82, 期 7, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.82.075115
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资金
- U.S. Department of Energy, Energy Efficiency and Renewable Energy, Office of Vehicle Technologies
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.
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