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

I. V. Leonov

doi:10.1103/PhysRevB.109.235123

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

I. V. Leonov

DOI 10.1103/PhysRevB.109.235123 · Physical Review B

T1

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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 density functional theory plus dynamical mean-field theory approach. Our results for the normal-state electronic structure and correlation effects in LNO show much in common with the infinite-layer and bilayer nickelates, with 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.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
La4Ni3O10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	20	Pressure not reported	unknown
La3Ni2O7 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	80	15 GPa	unknown