Ni-based Heusler compounds: How to tune the magnetocrystalline anisotropy

作者：Herper H C^*

来源：PHYSICAL REVIEW B, 2018, 98(1): 014411.

DOI：10.1103/PhysRevB.98.014411

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 noncubic ground state being a prerequisite for a finite magnetocrystalline anisotropy (MAE). We discuss systematically the influence of doping at the Y and Z sublattices as well as the effect 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 main group III and IV 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 Ni2FeGe. Even though we demonstrate this for a limited set of systems, the findings may carry over to other related systems.

• 出版日期2018-7-9