Electronic structure of an antiferromagnetic metal: CaCrO3

TL;DR

This study reveals that CaCrO3 is a strongly hybridized antiferromagnetic metal with a coherent Fermi edge, significant electron correlations, and a complex electronic structure characterized by a mix of Mott-Hubbard and charge-transfer features.

Contribution

It provides detailed spectroscopic analysis showing CaCrO3's metallic nature despite antiferromagnetic order and identifies key electronic interactions and correlations.

Findings

CaCrO3 exhibits a clear Fermi edge indicating metallic behavior.

Strong electron-electron correlations are evidenced by the spectral features.

The material is a strongly hybridized antiferromagnetic metal with intermediate electronic character.

Abstract

We report on the electronic structure of the perovskite oxide CaCrO3 using valence-band, core-level, and Cr 2p - 3d resonant photoemission spectroscopy (PES). Despite its antiferromagnetic order, a clear Fermi edge characteristic of a metal with dominant Cr 3d character is observed in the valence band spectrum. The Cr 3d single particle density of states are spread over 2 eV, with the photoemission spectral weight distributed in two peaks centered at ~ 1.2 eV and 0.2 eV below EF, suggestive of the coherent and incoherent states resulting from strong electron-electron correlations. Resonant PES across the Cr 2p - 3d threshold identifies a 'two-hole' correlation satellite and yields an on-site Coulomb energy U ~4.8 eV. The metallic DOS at EF is also reflected through the presence of a well-screened feature at low binding energy side of the Cr 2p core-level spectrum. X-ray absorption spectroscopy (XAS) at Cr L3,2 and O K edges exhibit small temperature dependent changes that point towards a small change in Cr-O hybridization. The multiplet splitting in Cr 2p core level spectrum as well as the spectral shape of the Cr XAS can be reproduced using cluster model calculations which favour a negative value for charge transfer energy between the Cr 3d and O 2p states. The overall results indicate that CaCrO3 is a strongly hybridized antiferromagnetic metal, lying in the regime intermediate to Mott-Hubbard and charge-transfer systems.