Electronic structure and superconducting properties of LaNiO2

Abstract Recently discovered infinite-layer nickelates share a cuprate-like structure, thereby providing a promising platform for elucidating the mechanism of high-temperature superconductivity. Motivated by recent photoemission measurements on the La 0.8 Sr 0.2 NiO 2 , we carry out a systematic study of the infinite-layer nickelate using both dynamical mean-field theory and density matrix embedding theory. The renormalized electronic structure and Fermi surface of correlated La 0.8 Sr 0.2 NiO 2 are studied in an effective two-band model through the dynamical mean-field calculation. We find the correlation effects reflect mainly on the Ni d band, which is consistent with the experimental findings. We further study the ground state through the density matrix embedding theory. Within the experimental doping range and rigid-band approximation, we show that the d -wave superconductivity is the lowest energy state, while the static magnetism is absent except very close to zero doping.