CaCrO3: an anomalous antiferromagnetic metallic oxide

TL;DR

This paper provides comprehensive experimental and theoretical evidence that CaCrO3 is a rare metallic antiferromagnetic oxide with a three-dimensional electronic structure and complex magnetic interactions.

Contribution

It combines multiple experimental techniques with LSDA calculations to reveal the metallicity, magnetic ordering, and magneto-elastic coupling in CaCrO3, a novel transition-metal oxide.

Findings

CaCrO3 is a metallic antiferromagnetic oxide.

LSDA calculations accurately describe its properties.

Structural anomalies are linked to magnetic transitions.

Abstract

Combining infrared reflectivity, transport, susceptibility and several diffraction techniques, we find compelling evidence that CaCrO3 is a rare case of a metallic and antiferromagnetic transition-metal oxide with a three-dimensional electronic structure. LSDA calculations correctly describe the metallic behavior as well as the anisotropic magnetic ordering pattern of C type: The high Cr valence state induces via sizeable pd hybridization remarkably strong next-nearest neighbor interactions stabilizing this ordering. The subtle balance of magnetic interactions gives rise to magneto-elastic coupling, explaining pronounced structural anomalies observed at the magnetic ordering transition.