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Electronic Structure and Fermiology of PuCoGa$_5$

Takahiro Maehira·Takashi Hotta·Kazuo Ueda·Akira Hasegawa
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Abstract

By using a relativistic linear augmented-plane-wave method, we clarify energy band structures and Fermi surfaces of recently discovered plutonium-based superconductor PuCoGa$_5$. We find several cylindrical sheets of Fermi surfaces with large volume, very similar to CeMIn$_5$ (M=Ir and Co) isostructural with PuCoGa$_5$, in spite of different $f$-electron numbers between Ce$^{3+}$ and Pu$^{3+}$ ions. The similarity is understood by a concept of electron-hole conversion in a tight binding model constructed based on the $j$-$j$ coupling scheme. Based on the present results, we provide a possible scenario to explain why a transition temperature is so high as 18.5K in PuCoGa$_5$.

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Takahiro Maehira, Takashi Hotta, Kazuo Ueda, Akira Hasegawa. 2002-12-19. Electronic Structure and Fermiology of PuCoGa$_5$. https://doi.org/10.1103/physrevlett.90.207007

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