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.

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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