Ab-initio order parameter fluctuations in the excitonic insulator transition

ORAL

Abstract

There has been much recent interest in excitonic insulators (EIs), a correlated phase of material with coherent electron-hole pairings. Although excitonic condensation shares formal similarities with superconductivity, unlike Cooper pairing, electron-hole pairing conserves charge, resulting in different symmetry groups.

Previous studies have explored EIs in both model Hamiltonians and real materials--but typically within a mean-field framework. Our work expands upon the mean-field analysis of real materials by incorporating order parameter fluctuations, which are important for determining the transition temperature Tc and characterizing the behavior of the EI phase near Tc. More specifically, we study the possible EI phase transition of candidate materials such as 1T’-MoS2 and Ta2Pd3Te5 using an ab-initio GW+BSE approach. This will be contrasted with mean-field results to assess the importance of order parameter fluctuations.

*This work has been funded by the U.S. Department of Energy and the National Science Foundation. Computational resources have been provided by NERSC.

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Presenters

  • James Wu

    • University of California, Berkeley

Authors

  • James Wu

    • University of California, Berkeley
  • Fang Zhang

    • University of California, Berkeley
  • Steven G Louie

    • University of California, Berkeley
    • Department of Physics, University of California, Berkeley, CA, USA; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory