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Temperature - Correlation Phase Diagram for LaNiO<sub>2</sub> : an eDMFT perspective

ORAL

Abstract

Current interest in the nickelates, RNiO2 (R=La, Nd) stem from the discovery of superconductivity in hole doped infinite-layer NdNiO2. To understand the underlying physics, we performed self-consistent density functional theory with embedded dynamical mean field theory (eDMFT) calculations on LaNiO2, simpler than NdNiO2, nevertheless illuminating. Using the prototypical LaNiO2 crystal structure we propose a temperature-correlation phase diagram. Depending on relevant computed quantities, the system exhibits varied behavior: Fermi liquid (FL) versus non-FL and magnetic versus non-magnetic Curie-Weiss. Computing the correlation strength in LaNiO2 using constrained eDMFT, we found the compound to be non-magnetic, which is consistent with neutron scattering experiments on RNiO2.

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Presenters

  • Khandker Quader

    Physics, Kent State University, Kent, OH 44242, Physics, Kent State University, Kent, OH 44242, USA

Authors

  • Khandker Quader

    Physics, Kent State University, Kent, OH 44242, Physics, Kent State University, Kent, OH 44242, USA

  • Gheorghe Pascut

    MANSID, MANSiD Research Center, Stefan Cel Mare University, MANSiD Research Center and Faculty of Forestry, Stefan Cel Mare University (USV), Suceava 720229, Romania, MANSiD Research Center and Faculty of Forestry, Applied Ecology Laboratory, Stefan Cel Mare University (USV), MANSiD Research Center, Stefan Cel Mare University (USV)

  • Kristjan Haule

    Rutgers University, New Brunswick, Physics & Astronomy, Rutgers University, Piscataway, NJ 08854, USA, Department of Physics and Astronomy, Rutgers University, Dept. of Physics and Astronomy, Rutgers University, New Brunswick, Department of Physics and Astronomy, Rutgers, The State University of New Jersey