$\gamma$-$\alpha$ iso-structural Transition in Cerium

ORAL

Abstract

We present zero-temperature first-principle calculations of elemental cerium, and we compute its pressure-volume phase diagram within a theoretical framework able to describe simultaneously both the $\alpha$ and the $\gamma$ phase. A surprising result revealed by our study is the presence of a clear signature of the transition at zero temperature, and that this signature can be observed if and only if the spin-orbit coupling is taken into account. Our calculations indicate that the transition line in the pressure-temperature phase diagram of this material has a low-$T$ critical point at negative pressures, placed very close to zero temperature. This suggests that cerium is very close to being ``quantum critical'', in agreement with recent experiments.

*Collaboration supported by the US DOE through CMSCN. Research at Ames Laboratory supported by the US DOE, Office of BES, DMSE. Ames Laboratory is operated for the US DOE by Iowa State University under Contract No. DE-AC02-07CH11358.

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Authors

  • Yongxin Yao

    • Ames Laboratory-U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa IA 50011, USA
    • Ames Laboratory, DOE \& Iowa State University
    • Ames laboratory--US DOE and Iowa state university

  • Nicola Lanat\`a

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

  • Cai-Zhuang Wang

    • Ames Lab
    • Ames Laboratory-U.S. Department of Energy, and Department of Physics and Astronomy, Iowa State University, Ames, Iowa, 50011, USA
    • Ames Laboratory, DOE \& Iowa State University
    • Iowa State University
    • Ames laboratory--US DOE and Iowa State University
    • Ames Laboratory
    • Ames Laboratory - U.S. Department of Energy, Iowa State University
    • Ames Lab, US DOE

  • Joerg Schmalian

    • Karlsruhe Institute of Technology (KIT)
    • Karlsruhe Institute of Technology

  • 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

  • Kai-Ming Ho

    • Ames laboratory--US DOE and Iowa State University
    • Iowa State University