Orbital Kondo Effect in $CrO_{2}$: A LSDA+DMFT Study

TL;DR

This study combines bandstructure calculations with dynamical mean-field theory to better understand the strongly correlated ferromagnetic metallic state of CrO₂, achieving improved agreement with experimental data.

Contribution

It introduces a LSDA+DMFT approach for CrO₂ that outperforms previous methods in describing its electronic and magnetic properties.

Findings

Better agreement with photoemission data

Clarifies the applicability of the half-metal concept

Aligns with thermodynamic and transport measurements

Abstract

Motivated by a collection of experimental results indicating the strongly correlated nature of the ferromagnetic metallic state of $CrO_{2}$, we present results based on a combination of the actual bandstructure [3] with dynamical mean-field theory (DMFT) for the multi-orbital case. In striking contrast with LSDA(+U) [3] and model many-body approaches [14], much better semiquantitative agreement with (i) recent photoemission results, (ii) domain of applicability of the half-metal concept, and (iii) thermodynamic and dc transport data, is obtained within a single picture. Our approach has broad applications for the detailed first principles investigation of other transition metal oxide-based half-metallic ferromagnets.