Abstract
EuRu4P12 is a very interesting material due to the diversity of physical properties that could be used for industrial applications. With this goal in mind, electronic structure calculations were performed in order to provide more information regarding its properties, especially those related to thermoelectric (TE) applications. The energy bands yielded information regarding its semiconductor behavior as well as a mini-gap of the order of 0.33 eV above the Fermi level. Moreover, total and projected density of states show the existence of a strong hybridization between Eu f-, Ru d-, with P p- orbitals. Hence, this compound could be considered a likely candidate as a thermoelectric material.
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Antúnez-García, J., Núñez-González, R., Galván, D.H. et al. Electronic Properties of EuRu4P12 Skutterudite. J Supercond Nov Magn 28, 2171–2175 (2015). https://doi.org/10.1007/s10948-015-3017-6
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DOI: https://doi.org/10.1007/s10948-015-3017-6