TY - JOUR

T1 - Electronic structure and magnetic correlations in the trilayer nickelate superconductor La4Ni3 O10 under pressure

AU - Leonov, I. V.

N1 - We acknowledge the support of the Ministry of Science and Higher Education of the Russian Federation, Project No. 122021000038-7 (theme \u201CQuantum\u201D).

PY - 2024

Y1 - 2024

N2 - 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.

AB - 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.

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U2 - 10.1103/PhysRevB.109.235123

DO - 10.1103/PhysRevB.109.235123

M3 - Article

VL - 109

JO - Physical Review B

JF - Physical Review B

SN - 2469-9950

IS - 23

M1 - 235123

ER -