Map of Crystal-Field Effects in Correlated Layered t2gn Perovskites

Correlated metallic layered ${t}_{2g}^{n}$ perovskites are intensively studied and yet their low-energy electronic properties remain hotly debated. Important elements of the puzzle, beside the on-site Coulomb repulsion, are the tetragonal crystal-field splitting and the spin-orbit interaction. Here, we show that they control the electronic properties principally via form and occupations of natural orbitals. We discuss consequences for shape and topology of the Fermi surface, effective masses, and metal-insulator transition, building a map of crystal-field effects. The emerging picture captures electronic-structure trends in this family of systems within a single framework.