Fermi surface topology and de Haas–van Alphen orbits in PuIn3 and PuSn3 compounds

C.-C. Joseph Wang, M. D. Jones, and Jian-Xin Zhu
Phys. Rev. B 88, 125106 – Published 5 September 2013

Abstract

Since the recent discovery of plutonium-based superconductors such as PuCoIn5, systematic studies of the electronic properties for plutonium compounds are providing insight into the itinerancy-localization crossover of Pu 5f electrons. We are particularly interested in understanding the Fermi surface properties of the PuIn3 compound, which serves as the building block for the PuCoIn5 superconductor. Motivated by the first observation of quantum oscillation and renewed interest in the de Haas–van Alphen (dHvA) measurements on PuIn3, we study the Fermi surface (FS) topology and the band dispersion in both the paramagnetic and antiferromagnetic states of PuIn3, based on density-functional theory with a generalized gradient approximation. We compare the results with its isostructural paramagnetic compound PuSn3. We present the detailed Fermi surfaces of the compounds PuIn3 and PuSn3, and conclude that the FS topology of an antiferromagnetic PuIn3 agrees better with dHvA measurements. In addition, we show the magnetization of the antiferromagnetic order can alter the field-angle dependence and values of the effective mass for the dHvA orbits. Our results suggest that the accurate determination of the magnetic order orientation with respect to the crystal orientation is crucial to advance the understanding of the electronic structure of the PuIn3 compound.

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  • Received 5 April 2013

DOI:https://doi.org/10.1103/PhysRevB.88.125106

©2013 American Physical Society

Authors & Affiliations

C.-C. Joseph Wang1, M. D. Jones2, and Jian-Xin Zhu1

  • 1Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
  • 2Department of Physics and Center for Computational Research, University at Buffalo–SUNY, Buffalo, New York 14260, USA

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Issue

Vol. 88, Iss. 12 — 15 September 2013

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