Dynamical Mean-Field Theory of Nickelate Superlattices
Dynamical Mean-Field Theory of Nickelate Superlattices
Dynamical mean-field methods are used to calculate the phase diagram, many-body density of states, relative orbital occupancy, and Fermi-surface shape for a realistic model of ${\mathrm{LaNiO}}_{3}$-based superlattices. The model is derived from density-functional band calculations and includes oxygen orbitals. The combination of the on-site Hunds interaction and charge transfer between …