Fermi surface topology and de Hass-van Alphen orbits in PuIn$_{\rm 3}$ and PuSn$_{\rm 3}$ compounds

TL;DR

This study investigates the Fermi surface topology and de Haas-van Alphen orbits in PuIn3 and PuSn3 compounds using density functional theory, providing insights into their electronic structures and magnetic properties relevant to plutonium-based superconductors.

Contribution

The paper offers a detailed comparison of Fermi surfaces in PuIn3 and PuSn3, highlighting the importance of magnetic order orientation in understanding their electronic structures.

Findings

Fermi surface topology of antiferromagnetic PuIn3 aligns with experimental dHvA data.

Magnetization affects the angle dependence and effective mass of dHvA orbits.

Accurate magnetic order orientation is crucial for electronic structure analysis.

Abstract

Since the recent discovery of plutonium-based superconductors such as PuCoIn$_{\rm 5}$, systematic studies of the electronic properties for plutonium compounds are providing insight into the itinerancy-localization crossover of Pu 5$f$ electrons. We are particularly interested in understanding the Fermi surface properties of PuIn$_{3}$ compound, which serves as the building block for the PuCoIn$_{\rm 5}$ superconductor. Motivated by the first observation of quantum oscillation and renewed interest in the de-Hass van-Alphen (dHvA) measurements on PuIn$_{\rm 3}$, we study the Fermi surface (FS) topology and the band dispersion in both paramagnetic and antiferromagnetic state of PuIn$_{\rm 3}$, based on density functional theory with generalized gradient approximation. We compare the results with its isostructural paramagnetic compound PuSn$_{\rm 3}$. We show the detailed Fermi surfaces of compounds PuIn$_{\rm 3}$ and PuSn$_{\rm 3}$ and conclude that the FS topology of an antiferromagnetic PuIn$_3$ agrees better with dHvA measurements. In addition, we show the magnetization of the antiferromagnetic order can alter the angle dependence and values of the effective mass for the dHvA orbits. We point out the accurate determination of the magnetic order orientation with respect to the crystal orientation is crucial to advance the understanding of the electronic structures of the PuIn$_{\rm 3}$ compound.