Orbital selectivity and metal-insulator crossovers in
Phys. Rev. B 111, 235126 – Published 13 June, 2025
DOI: https://doi.org/10.1103/rzmq-xtym
Abstract
Based on density functional plus dynamical mean-field theory (DFT DMFT) calculations, we explore the electronic reconstruction of . We show how Mott localization manifests itself due to sizable electron correlation effects in the -shell one-particle spectral functions. Our results upon electron-doping the layered compound provide a many-particle interpretation for the tenacious insulating behavior seen in experiments. Our findings call for future theory and experimental investigations to validate or rule out the proximity to marginal Fermi liquidness as the prominent candidate for pseudogapped transport properties of pressurized .