Large magnetocrystalline anisotropy in tetragonally distorted Heuslers: a systematic study
arXiv:1702.08150 · doi:10.1088/1361-6463/aa5441
Abstract
With a view to the design of hard magnets without rare earths we explore the possibility of large magnetocrystalline anisotropy energies in Heusler compounds that are unstable with respect to a tetragonal distortion. We consider the Heusler compounds FeYZ with Y = (Ni, Co, Pt), and CoYZ with Y = (Ni, Fe, Pt) where, in both cases, Z = (Al, Ga, Ge, In, Sn). We find that for the CoNiZ, CoPtZ, and FePtZ families the cubic phase is always, at , unstable with respect to a tetragonal distortion, while, in contrast, for the FeNiZ and FeCoZ families this is the case for only 2 compounds -- FeCoGe and FeCoSn. For all compounds in which a tetragonal distortion occurs we calculate the MAE finding remarkably large values for the Pt containing Heuslers, but also large values for a number of the other compounds (e.g. CoNiGa has an MAE of -2.11~MJ/m). The tendency to a tetragonal distortion we find to be strongly correlated with a high density of states at the Fermi level in the cubic phase. As a corollary to this fact we observe that upon doping compounds for which the cubic structure is stable such that the Fermi level enters a region of high DOS, a tetragonal distortion is induced and a correspondingly large value of the MAE is then observed.
arXiv comment8 pages, 5 figures
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Cited by in corpus (9)
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- Effect of L21 and XA ordering on phase stability, half-metallicity and magnetism of Co2FeAl Heusler Alloy: GGA and GGA+U approach
- Competition of L21 and XA Ordering in Fe2CoAl Heusler Alloy: A First-Principles Study
- Phase stability and the effect of lattice distortions on electronic properties and half-metallic ferromagnetism of Co2FeAl Heusler alloy: An ab initio study
- Effect of Point Defects and Lattice Distortions on the Structural, Electronic, and Magnetic properties of CoMnAl Heusler alloy
- Stability and magnetic properties of grain boundaries in the inverse Heusler phase FeCoGa and in bcc Fe
- Magnetic phase diagram of the austenitic Mn-rich Ni-Mn-(In,Sn) Heusler alloys