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1. Electronic structure, quasiparticle renormalizations, and magnetic correlations in the alternating single-layer bilayer nickelate La$_5$Ni$_3$O$_{11}$

Summary: This study systematically investigates the electronic structure and magnetic correlations in the normal state of the alternating monolayer-bilayer Ruddlesden-Popper nickelate La₅Ni₃O₁₁ (1212-LNO) using the DFT+DMFT method. The results reveal significant differences between structurally distinct monolayer and bilayer Ni ions: the e_g states of bilayer Ni ions form strongly renormalized quasiparticle bands, with effective mass enhancement factors of approximately 3.5 and 4.2 for the Ni x²-y² and 3z²-r² orbitals, respectively; while the e_g states of monolayer Ni ions exhibit an orbital-selective Mott insulating state, where the Ni 3z²-r² orbital possesses a narrow gap and the x²-y² orbital displays metallic but strongly incoherent (non-Fermi liquid) behavior. Magnetic correlation analysis indicates that intertwined spin and charge density wave stripes may form in the bilayer NiO₆ planes, with the primary instability corresponding to an “up-down-0” spin pattern at wave vector Q=(1/3,1/3) competing with a “up-up-down-down” double-stripe state at (1/4,1/4). The 3d electrons of monolayer Ni tend to form Néel-type magnetic order. Under pressure, 1212-LNO undergoes an orbital-selective Mott insulator-metal transition accompanied by the metallization of the monolayer Ni e_g states, which exhibit strongly incoherent non-Fermi liquid behavior near the Fermi level. Overall, correlation effects significantly restructure the magnetic correlations from DFT-predicted monolayer-dominated to bilayer-dominated behavior, emphasizing the critical roles of interlayer confinement and orbital-dependent correlations.