The role of correlations on oxygen orbitals in late transition-metal oxides

We investigate the effect on transition-metal oxide physics of including interactions on the oxygen sites as well as on the transition-metal site using a generalization of the single-site Dynamical Mean Field method. On-site repulsive and Hund's interactions in the full Slater-Kanamori form are treated using a numerically exact continuous-time quantum Monte-Carlo solver. We determine the metal-insulator and magnetic phase diagrams as a function of charge-transfer tendency and interaction strengths. The results are compared directly to models with no oxygen correlations, yielding insights about the role of oxygen-specific correlations.