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Electronic properties of transuranium compounds with HoCoGa$$_5$$-type tetragonal crystal structure

Maehira, Takahiro*; Hotta, Takashi; Ueda, Kazuo*; Hasegawa, Akira*

By using a relativistic band-structrue calculation method, we investigate energy band structures and the Fermi surfaces of 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. 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 a rigid-band picture.

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Category:Physics, Multidisciplinary

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