Emergence of antiferromagnetic correlations and Kondolike features in a model for infinite layer nickelates

We report a determinant quantum Monte Carlo study of a two-band model, inspired by infinite-layer nickelates, focusing on the influence of interlayer hybridization between $3d_{x^{2}-y^{2}}$ orbitals derived from Ni (or Ni and O) in one layer and rare-earth (R) 5d orbitals in the other layer, hereafter the Ni and R layers, respectively. For a filling with one electron shared between the two layers on average, interlayer hybridization leads to “self-doped" holes in the Ni layer and the absence of antiferromagnetic ordering, but rather the appearance of spin-density and charge-density stripe-like states. As the interlayer hybridization increases, both the Ni and R layers develop antiferromagnetic correlations, even though either layer individually remains away from half-filling. For hybridization within an intermediate range, roughly comparable to the intralayer nearest-neighbor hopping t_Ni, the model develops signatures of Kondo-like physics.. Authors: Liu, Fangze [Stanford Univ., CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); SLAC National Accelerator Laboratory] (ORCID:0000000329052990); Peng, Cheng [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)] (ORCID:0000000292671789); Huang, Edwin W. [Univ. of Illinois at Urbana-Champaign, IL (United States); University of Notre Dame, IN (United States)] (ORCID:0000000262509529); Moritz, Brian [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)] (ORCID:0000000237478484); Jia, Chunjing [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)] (ORCID:0000000179991932). DOE Contract: AC02-05CH11231; AC02-76SF00515; SC0022216. Subjects: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; magnetic properties and materials; theory and computation