Site-specific atomic substitution in a giant magnetocaloric Fe${}_2$P-type system

Abstract

Giant magnetocaloric (GMC) materials constitute a requirement for near room temperature magnetic refrigeration. (Fe,Mn)${}_2$(P,Si) is a GMC compound with strong magnetoelastic coupling. The main hindrance towards application of this material is a comparably large temperature hysteresis, which can be reduced by metal site substitution with a nonmagnetic element. However, the (Fe,Mn)${}_2$(P,Si) compound has two equally populated metal sites, the tetrahedrally coordinated $3f$ and the pyramidally coordinated $3g$ sites. The magnetic and magnetocaloric properties of such compounds are highly sensitive to the site specific occupancy of the magnetic atoms. Here we have attempted to study separately the effect of $3f$ and $3g$ site substitution with equal amounts of vanadium. Using formation energy calculations, the site preference of vanadium and its influence on the magnetic phase formation are described. A large difference in the isothermal entropy change (as high as 44\%) with substitution in the $3f$ and $3g$ sites is observed. The role of the lattice parameter change with temperature and the strength of the magnetoelastic coupling on the magnetic properties are highlighted.

References in corpus (2)

• Mixed Magnetism for Refrigeration and Energy Conversion
• Magneto-elastic coupling and magnetocaloric effect in hexagonal Mn-Fe-P-Si compounds

Cited by in corpus (3)

• Giant magnetocaloric effect in the (Mn,Fe)NiSi-system
• A setup for direct measurement of the adiabatic temperature change in magnetocaloric materials
• Design of thermal hysteresis in nonstoichiometric alloys with giant magnetocaloric effect