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Electronic and Magnetic Properties in the Novel Skutterudite ThPt4Ge12

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Abstract

Theoretical calculations on ThPt4Ge12 filled skutterudite were performed. The calculated energy bands yielded indication of metallic behavior, while the projected density of states provided indication of a hybridization formed by Th f-, Pt d- and Ge p-states. The absence of a detected minigap provides support that this material is not a good thermoelectric material. Furthermore, Crystal Orbital Overlap Population yielded indication of the absence of a ferromagnetic instability.

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  1. Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Apartado Postal 2681, CP 22800, Ensenada, BC, Mexico

    Donald H. Galvan

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  1. Donald H. Galvan
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Galvan, D.H. Electronic and Magnetic Properties in the Novel Skutterudite ThPt4Ge12 . J Supercond Nov Magn 22, 367–371 (2009). https://doi.org/10.1007/s10948-008-0397-x

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  • DOI: https://doi.org/10.1007/s10948-008-0397-x

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