Plutonium hexaboride is a correlated topological insulator

ORAL

Abstract

We predict that plutonium hexaboride (PuB$_6$) is a strongly correlated topological insulator, with Pu in an intermediate valence state of Pu$^{2.7+}$. Within the combination of dynamical mean field theory and density functional theory, we show that PuB$_6$ is an insulator in the bulk, with non-trivial $Z_2$ topological invariants. Its metallic surface states have large Fermi pocket at $\bar{X}$ point and the Dirac cones inside the bulk derived electronic states causing a large surface thermal conductivity. PB$_6$ has also a very high melting temperature therefore it has ideal solid state properties for a nuclear fuel material.

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Authors

  • Xiaoyu Deng

    • Department of Physics and Astronomy, Rutgers University

  • Kristjan Haule

    • Rutgers The State University of New Jersey
    • Rutgers University
    • Department of Physics, Rutgers University, Piscataway, New Jersey 08854, USA
    • Rutgers Univ
    • Rutgers University, NJ, USA
    • Department of Physics and Astronomy, Rutgers University

  • G. Kotliar

    • Rutgers University
    • Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08856-8019, USA
    • Rutgers Univ
    • Department of Physics and Astronomy, Rutgers University
    • Dept. of Physics and Astronomy, Rutgers University