Correlated electronic structure of the alternating monolayer-bilayer nickelate La5Ni3O11

Abstract

The recent discovery of superconductivity under pressure in Ruddlesden-Popper (RP) nickelates has attracted a great deal of attention. Here, using charge-self-consistent density-functional theory plus dynamical mean-field theory, we study the correlated electronic structure of the latest superconducting member of the family: the alternating single-layer bilayer nickelate La5Ni3O11. Due to its alternating single-layer and bilayer structural motif, this hybrid RP nickelate exhibits layer-selective physics with the single-layer neighboring a Mott instability, rendering the bilayer the dominant contributor to its low-energy physics at both ambient and high pressure. The electronic structure of La5Ni3O11 ultimately resembles that of the bilayer compound La3Ni2O7, pointing to the presence of universal features in the family of superconducting RP nickelates. Thus, La5Ni3O11 provides a new platform to disentangle the key degrees of freedom underlying superconductivity in pressurized RP nickelates, underscoring the central role of the bilayer structural motif.

Source-reported materials — not catalogue approval

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