Prediction of Room Temperature High Thermoelectric Performance in n-type La(Ru,Rh)4Sb12
Marco Fornari (1,2), David J. Singh (1) ((1) Naval Research, Laboratory, Washington DC (2) George Mason University, Fairfax VA)
TL;DR
This study uses first principles calculations to identify n-type La(Rh,Ru)4Sb12 as a promising high-performance thermoelectric material at room temperature, based on its electronic structure and transport properties.
Contribution
It provides the first theoretical prediction of high thermoelectric performance in n-type La(Rh,Ru)4Sb12 using detailed band structure analysis.
Findings
N-type La(Rh,Ru)4Sb12 shows high thermoelectric potential.
RhSb3 and p-type La(Rh,Ru)4Sb12 are less suitable for thermoelectric applications.
The material is promising in the 150-300 K temperature range.
Abstract
First principles calculations are used to investigate the band structure and the transport related properties of unfilled and filled 4d skutterudite antimonides. The calculations show that, while RhSb3 and p-type La(Rh,Ru)4Sb12 are unfavorable for thermoelectric application, n-type La(Rh,Ru)4Sb12 is very likely a high figure of merit thermoelectric material in the important temperature range 150-300 K.
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