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Ni-based Heusler compounds: How to tune the magnetocrystalline anisotropy
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.ORCID iD: 0000-0001-6159-1244
2018 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 98, no 1, article id 014411Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2018. Vol. 98, no 1, article id 014411
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-361275DOI: 10.1103/PhysRevB.98.014411ISI: 000437829300002OAI: oai:DiVA.org:uu-361275DiVA, id: diva2:1251579
Funder
EU, Horizon 2020, 686056StandUpAvailable from: 2018-09-27 Created: 2018-09-27 Last updated: 2018-09-27Bibliographically approved

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