Metal-Insulator phase diagram and orbital selectivity in 3-orbital models with rotationally invariant Hund coupling

TL;DR

This study explores the phase diagram and orbital selectivity in a three-orbital model relevant to transition metal oxides, using dynamical mean field theory with full Hund interactions, revealing conditions for orbital selective Mott phases.

Contribution

It introduces a comprehensive analysis of the metal-insulator transition and orbital selectivity in a realistic three-band model with rotationally invariant Hund coupling.

Findings

Identifies the phase boundaries between metallic and Mott insulating states.

Determines the regimes where orbital selective Mott phases occur.

Compares theoretical results with experimental data on transition metal compounds.

Abstract

A three band model containing the essential physics of transition metal oxides with partially filled t_2g shells is solved in the single-site dynamical mean field approximation, using the full rotationally invariant Slater-Kanamori interactions. We compute the metal-Mott insulator phase diagram in the space of chemical potential and interaction strength, determine the response of the different phases to perturbations which break the orbital symmetry, and establish the regimes in which an orbital selective Mott phase occurs. The results are compared to data on titanates, ruthenates, vanadates and C_60.