Abstract

The electronic, magnetic and thermodynamic properties of ordered and chemically disordered FeRh alloy are 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 ordered and disordered 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 the FeRh and is inspired by the fact that it is possible to sustain the barocaloric properties over the cycle. Hence, we have discussed the properties of Fe x Rh 100-x with chemical disorder and pressure simultaneously to gain an insight into the compound effect and the interplay between them.

Greeshma R

Research Scholar

My research interest includes the study of alloys, molecules and oxides.

Rudra Banerjee

Assistant Professor, Computational Condensed Matter

My research interests include Computational Physics, disordered materials and thermodynamics.