Tuning electronic and magnetic properties of FeRh alloy by chemical and physical method

TL;DR

This paper investigates how chemical disorder and physical stress influence the electronic and magnetic properties of FeRh alloys using ab-initio calculations, aiming to understand their potential for barocaloric applications.

Contribution

It provides a comprehensive ab-initio analysis of the combined effects of chemical disorder and mechanical stress on FeRh's properties, which was not previously explored.

Findings

Disorder significantly alters electronic and magnetic properties.

Stress impacts the properties differently in ordered and disordered phases.

Insights into the interplay between chemical disorder and pressure on FeRh.

Abstract

The electronic, magnetic, and thermodynamic properties of ordered and chemically disordered FeRh alloy is studied using ab-initio methods. The equiatomic Fe$_{50}$Rh$_{50}$ composition is reported for both ordered and disordered phases. Chemically disordered Fe$_x$Rh$_{100-x}$ is reported and the effect of disorder on electronic and magnetic properties is discussed. Further, We have reported the effects of stress and strain in both the order and disorder phases. The result is only for the cubic phase and no distortion has been taken into consideration. This study is motivated by the recent resurgence in FeRh study motivated by the fact that the barocaloric properties can be possible to sustain over the cycle. Hence, we have discussed the properties of Fe$_x$ Rh${100-x}$ with chemical disorder and pressure together, to gain an insight into the compound effect and the interplay between them