Prediction of Room Temperature High Thermoelectric Performance in n-type La(Ru,Rh)4Sb12

Physics – Condensed Matter – Materials Science

Scientific paper

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3 pages, 3 figures. To appear, Appl. Phys. Lett

Scientific paper

10.1063/1.124220

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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