Correlated Electronic Structure of La 3 Ni 2 O 7 under Pressure

Recently, superconductivity with a T_{c} up to 78 K has been reported in bulk samples of the bilayer nickelate La_{3}Ni_{2}O_{7} at pressures above 14 GPa. Important theoretical tasks are the formulation of relevant low-energy models and the clarification of the normal state properties. Here, we study the correlated electronic structure of the high-pressure phase in a four-orbital low-energy subspace using different many-body approaches: GW, dynamical mean field theory (DMFT), extended DMFT (EDMFT) and GW+EDMFT, with realistic frequency-dependent interaction parameters. The nonlocal correlation and screening effects captured by GW+EDMFT result in an instability toward the formation of charge stripes, with the…

• SN
  Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung
• NC
  National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials

  Award: 200021-196966