Heusler compounds -- how to tune the magnetocrystalline anisotropy

Abstract

Tailoring and controlling magnetic properties is an important factor for materials design. Here, we present a case study for Ni-based Heusler compounds of the type Ni${}_2$YZ with Y = Mn, Fe, Co and Z = B, Al, Ga, In, Si, Ge, Sn based on first principles electronic structure calculations. These compounds are interesting since the materials properties can be quite easily tuned by composition and many of them possess a non-cubic ground state being a prerequisite for a finite magnetocrystalline anisotropy (MAE). We discuss systematically the influence of doping at the Y and Z sublattice as well of lattice deformation on the MAE. We show that in case of Ni${}_2$CoZ the phase stability and the MAE can be improved using quaternary systems with elements from group 13 and 14 on the Z sublattice whereas changing the Y sublattice occupation by adding Fe does not lead to an increase of the MAE. Furthermore, we studied the influence of the lattice ratio on the MAE. Showing that small deviations can lead to a doubling of the MAE as in case of Ni${}_2$FeGe. Even though we demonstrate this for a limited set of systems the findings may carry over to other related systems.

27pages (preprint style), 10 figures, regular paper

References in corpus (2)

• Theoretical prediction and experimental study of a ferromagnetic shape memory alloy: Ga_2MnNi
• Magnetic shape memory microactuator

Cited by in corpus (6)

• Magnetocrystalline Anisotropy of Fe-based $L{1}_0$ Alloys: Validity of Approximate Methods to Treat the Spin-Orbit Interaction
• Exploration of all-3d Heusler alloys for permanent magnets: an ab initio based high-throughput study
• Effect of N, C and B interstitials on the structural and magnetic properties of alloys with Cu${}_3$Au-structure
• Emergence of net magnetization by magnetic-field-biased diffusion in antiferromagnetic L1${}_0$ NiMn
• Designing rare-earth free permanent magnets in Heusler alloys via interstitial doping
• Stability and magnetic properties of grain boundaries in the inverse Heusler phase Fe${}_2$CoGa and in bcc Fe