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Journal of Materials Science
Erschienen in: Journal of Materials Science 3/2017

04.10.2016 | Original Paper

X-dependence of energy band structures and thermoelectricity of CeRu4X12 (X = P, As, Sb)

verfasst von: A. Shankar, P. K. Mandal, R. K. Thapa

Erschienen in: Journal of Materials Science | Ausgabe 3/2017

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Abstract

The electronic structures of the filled skutterudites CeRu4X12 (X = P, As, Sb) are calculated using the first-principles density functional theory to understand the region close to Fermi energy level (EF). The effects of the localized electrons present in the sample materials are treated by including the Hubbard’s ‘U’ term in the calculation. The study of the energy band structures suggests the semiconducting nature of CeRu4P12 and CeRu4As12 with the presence of an indirect energy of 0.227 and 0.146 eV, respectively. The addition of Sb atom diminishes the opening of the hybridized energy band-gap above the EF, giving the metallic nature for CeRu4Sb12. The analysis of the thermal transport properties suggests the high value of Seebeck coefficient with large thermopower at room temperature.
Vorheriger Artikel Influence of grain size on the electrochemical behavior of pure copper
Nächster Artikel Boron-doped nanoporous carbons as promising materials for supercapacitors and hydrogen storage

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Metadaten
Titel
X-dependence of energy band structures and thermoelectricity of CeRu4X12 (X = P, As, Sb)
verfasst von
A. Shankar
P. K. Mandal
R. K. Thapa
Publikationsdatum
04.10.2016
Verlag
Springer US
Erschienen in
Journal of Materials Science / Ausgabe 3/2017
Print ISSN: 0022-2461
Elektronische ISSN: 1573-4803
DOI
https://doi.org/10.1007/s10853-016-0446-y

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