Correlated electronic structure of the alternating monolayer-bilayer nickelate
Phys. Rev. B 113, 115133 – Published 16 March, 2026
DOI: https://doi.org/10.1103/k83c-qgx1
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 . 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 ultimately resembles that of the bilayer compound , pointing to the presence of universal features in the family of superconducting RP nickelates. Thus, 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.