Electron Correlation and Tranport Properties in Nuclear Fuel Materials

ORAL

Abstract

Using first principle LDA+DMFT method, we conduct a systematic study on the correlated electronic structures and transport properties of select actinide carbides, nitrides, and oxides, many of which are nuclear fuel materials. Our results capture the metal--insulator Mott transition within the studied systems, and the appearance of the Zhang-Rice state in uranium dioxide. More importantly, by understanding the physics underlying their transport properties, we suggest ways to improve the efficiency of currently used fuels.

*This work is supported by the DOE Nuclear Energy University Program, contract No. 00088708.

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Authors

  • Quan Yin

    • Rutgers University

  • Kristjan Haule

    • Rutgers University
    • Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA
    • Serin Physics Laboratory, Rutgers University,Piscataway, NJ 08854, USA.
    • Department of Physics, Rutgers University

  • Gabriel Kotliar

    • Rutgers University
    • Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA
    • Serin Physics Laboratory, Rutgers University,Piscataway, NJ 08854, USA.
    • Department of Physics, Rutgers University

  • Sergey Savrasov

    • University of California, Davis
    • UC Davis

  • Warren Pickett

    • University of California, Davis