Electronic structure and magnetic correlations in trilayer nickelate superconductor La4Ni3O10 under pressure

Abstract

It has been recently shown that under pressure trilayer Ruddlesden-Popper nickelate La4Ni3O10 (LNO) becomes superconducting below a critical temperature 20 K, in addition to the infinite-layer and bilayer systems. Motivated by this observation, we explore the effects of electron correlations on its electronic structure and magnetic properties using the advanced DFT+dynamical mean-field theory approach. Our results for the normal-state electronic structure and correlation effects in LNO have much in common with the infinite-layer and bilayer nickelates, with a remarkable site- and orbital-dependent renormalizations of the Ni 3d bands and notable incoherence of the Ni d3z2-r2 states, caused by correlation effects. Our analysis of the Fermi surface and magnetic correlations suggests the emergence of competing spin and charge stripe states, implying the importance of in-plane spin fluctuations to explain superconductivity in this material.

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