Correlated electronic structure of the alternating monolayer-bilayer nickelate La$_{5}$Ni$_{3}$O$_{11}$

Harrison LaBollita; Antia S. Botana

paper

Correlated electronic structure of the alternating monolayer-bilayer nickelate La $_{5}$ Ni $_{3}$ O $_{11}$

arXiv:2505.07394

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 La $_{5}$ Ni $_{3}$ O $_{11}$ . 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, both at ambient and high pressure. The electronic structure of La $_{5}$ Ni $_{3}$ O $_{11}$ ultimately resembles that of the bilayer compound La $_{3}$ Ni $_{2}$ O $_{7}$ , pointing to the presence of universal features in the family of superconducting RP nickelates. Thus, La $_{5}$ Ni $_{3}$ O $_{11}$ 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.

11 pages, 6 figures

Correlated electronic structure of the alternating monolayer-bilayer nickelate La5​Ni3​O11​

Abstract

Correlated electronic structure of the alternating monolayer-bilayer nickelate La $_{5}$ Ni $_{3}$ O $_{11}$