Electronic Properties of Transuranium Compounds with HoCoGa$_5$-Type Tetragonal Crystal Structure

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dc.creatorMaehira, Takahiro
dc.creatorHotta, Takashi
dc.creatorUeda, Kazuo
dc.creatorHasegawa, Akira
dc.date2004-12-23
dc.date.accessioned2026-07-07T03:02:54Z
dc.date.available2026-07-07T03:02:54Z
dc.descriptionBy using a relativistic linear augmented-plane-wave method with the one-electron potential in the local-density approximation, we investigate energy band structures and the Fermi surfaces of transuranium compounds NpTGa$_5$, PuTGa$_5$, and AmCoGa$_5$ with transition metal atoms T. It is found in common that the energy bands in the vicinity of the Fermi level are mainly due to the large hybridization between $5f$ and Ga $4p$ electrons. For PuTGa$_5$, we observe several cylindrical sheets of Fermi surfaces with large volume for T=Co, Rh, and Ir. The de Haas-van Alphen (dHvA) frequencies are theoretically estimated for PuCoGa$_5$. It is also found that the Fermi surfaces of NpFeGa$_5$, NpCoGa$_5$, and NpNiGa$_5$ are similar to those of UCoGa$_5$, UNiGa$_5$, and PuCoGa$_5$, respectively, except for small details. For AmCoGa$_5$, the Fermi surfaces are found to consist of large cylindrical electron sheets and small closed hole sheets, similar to PuCoGa$_5$. The similarity is basically understood by the change of electron numbers inside the Fermi surfaces on the basis of a rigid-band picture. We discuss our theoretical Fermi surfaces with the dHvA experimental results on NpTGa$_5$.
dc.description13 pages, 20 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0412647
dc.identifierhttp://arxiv.org/abs/cond-mat/0412647
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/25565
dc.subjectStrongly Correlated Electrons
dc.titleElectronic Properties of Transuranium Compounds with HoCoGa$_5$-Type Tetragonal Crystal Structure
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