Properties of the quaternary half-metal-type Heusler alloy Co$_2$Mn$_{1-x}$Fe$_x$Si

TL;DR

This study investigates the structural, magnetic, and electronic properties of the quaternary Heusler alloy Co$_2$Mn$_{1-x}$Fe$_x$Si across various Fe concentrations, highlighting its potential as a stable half-metallic ferromagnet.

Contribution

It provides comprehensive experimental and theoretical analysis of the alloy's properties, identifying optimal Fe concentration for stable half-metallicity.

Findings

All samples exhibit L2_1 order across Fe concentrations.

Magnetization aligns with Slater-Pauling behavior.

Best half-metallic stability around 50% Fe concentration.

Abstract

This work reports on the bulk properties of the quaternary Heusler alloy Co$_2$Mn$_{1-x}$Fe$_x$Si with the Fe concentration $x=$. All samples, which were prepared by arc melting, exhibit $L2_1$ long range order over the complete range of Fe concentration. Structural and magnetic properties of Co$_2$Mn$_{1-x}$Fe$_x$Si Heusler alloys were investigated by means of X-ray diffraction, high and low temperature magnetometry, M{\"o\ss}bauer spectroscopy, and differential scanning calorimetry. The electronic structure was explored by means of high energy photo emission spectroscopy at about 8 keV photon energy. This ensures true bulk sensitivity of the measurements. The magnetization of the Fe doped Heusler alloys is in agreement with the values of the magnetic moments expected for a Slater-Pauling like behavior of half-metallic ferromagnets. The experimental findings are discussed on the hand of self-consistent calculations of the electronic and magnetic structure. To achieve good agreement with experiment, the calculations indicate that on-site electron-electron correlation must be taken into account, even at low Fe concentration. The present investigation focuses on searching for the quaternary compound where the half-metallic behavior is stable against outside influences. Overall, the results suggest that the best candidate may be found at an iron concentration of about 50%.