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