Evidence for Localized Moment Picture in Mn-based Heusler Compounds

TL;DR

This study uses XAS and XMCD to investigate the oxidation states and magnetic moments of Mn in Heusler compounds, revealing structure-dependent localization and oxidation states that influence magnetic properties.

Contribution

It provides experimental evidence linking local structure to magnetic moments and oxidation states of Mn in Heusler compounds, enhancing understanding for material design.

Findings

Mn in full Heusler alloys is metallic with large localized magnetic moments.

Mn in half Heusler compounds has higher oxidation states (+1 or +2) with different magnetic behavior.

Magnetic and electronic properties depend strongly on the crystallographic structure and sublattice arrangement.

Abstract

X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) were used to probe the oxidation state and element specific magnetic moments of Mn in Heusler compounds with different crystallographic structure. The results were compared with theoretical calculations, and it was found that in full Heusler alloys, Mn is metallic (oxidation state near 0) on both sublattices. The magnetic moment is large and localized when octahedrally coordinated by the main group element, consistent with previous theoretical work, and reduced when the main group coordination is tetrahedral. By contrast, in the half Heusler compounds the magnetic moment of the Mn atoms is large and the oxidation state is +1 or +2. The magnetic and electronic properties of Mn in full and half Heusler compounds are strongly dependent on the structure and sublattice, a fact that can be exploited to design new materials.