Ferromagnetism and correlation strength in cubic barium ruthenate in comparison to strontium and calcium ruthenate: a dynamical mean field study

TL;DR

This study uses dynamical mean field theory to analyze the magnetic properties and correlation effects in cubic BaRuO3, comparing it with SrRuO3 and CaRuO3, confirming Hund's metal behavior and the role of van Hove singularities.

Contribution

It demonstrates the applicability of previously estimated interaction parameters and the single-site DMFT approximation to cubic BaRuO3, providing insights into its magnetism and electronic correlations.

Findings

Transition temperature variation matches experimental data.

BaRuO3 is confirmed as a Hund's metal.

Van Hove singularity influences magnetic properties.

Abstract

We present density functional plus dynamical mean field studies of cubic BaRuO$_3$ using interaction parameters previously found to be appropriate for the related materials CaRuO$_3$ and SrRuO$_3$. The calculated variation in transition temperature between the Ba and Sr compounds is consistent with experiment, confirming the assignment of the compounds to the Hund's metal family of materials, and also confirming the appropriateness of the values for the interaction parameters previously estimated and the appropriateness of the single-site dynamical mean field approximation for these materials. The results provide insights into the origin of magnetism and the role of the van Hove singularity in the physics of Hund's metals.