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Extended Huckel electronic calculations for PrFe4P12

  • D. H. Galvan (a1) and J. C. Samaniego (a1)

Abstract

Electronic structure calculations were performed on PrFe4P12 filled skutterudite, in order to provide more information regarding its properties. The energy bands yielded information regarding the metallic behavior as well as a mini gap of 0.02 eV. Total and projected Density of States (DOS) yielded information for the existence of a hybridization between Pr -f, Fe -d and P -p orbitals. Hence, this compound could be considered a likely candidate as a thermoelectric compound.

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Extended Huckel electronic calculations for PrFe4P12

  • D. H. Galvan (a1) and J. C. Samaniego (a1)

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