Magnetism and orbital-ordering in an interacting three band model: a dynamical mean field study

TL;DR

This study uses dynamical mean field theory to map the magnetic and orbital phases of a three-orbital electron model, revealing conditions for various orderings relevant to transition metal oxides and C60.

Contribution

It introduces a simple, unbiased method to detect two-sublattice order and explores phase regimes for spin and orbital arrangements in a three-band model.

Findings

Identified regimes of uniform and two-sublattice orderings.

Provided physical insights into phase origins.

Guidelines for optimizing ferromagnetism.

Abstract

Single-site dynamical mean field theory is used to determine the magnetic and orbital-ordering phase diagram for a model of electrons moving on a lattice with three orbital states per site and with the fully rotationally invariant Slater-Kanamori on-site interactions. The model captures important aspects of the physics of transition metal oxides with partially filled $t_{2g}$ shells, and of electron-doped C$_{60}$. We introduce an unbiased, computationally simple and inexpensive method for estimating the presence of two sublattice order, determine the regimes in which spatially uniform and two-sublattice spin and orbital orderings are present and give physical arguments for the origins of the different phases. Guidelines are determined for optimizing the presence of ferromagnetism, which may be desirable in applications