Electronic Structure and Fermiology of PuCoGa$_5$

TL;DR

This study uses relativistic calculations to analyze the electronic structure and Fermi surfaces of PuCoGa$_5$, revealing similarities with CeMIn$_5$ compounds and offering insights into its high superconducting transition temperature.

Contribution

It provides the first detailed relativistic band structure and Fermi surface analysis of PuCoGa$_5$, explaining its high Tc through electron-hole conversion concepts.

Findings

Fermi surfaces with cylindrical sheets similar to CeMIn$_5$

Electron-hole conversion explains similarities despite different f-electron counts

Proposes a scenario for high transition temperature of 18.5K

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$_5$.