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Large magnetocrystalline anisotropy in tetragonally distorted Heuslers: a systematic study

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Felser,  C.
Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Matsushita, Y.-I., Madjarova, G., Dewhurst, J. K., Shallcross, S., Felser, C., Sharma, S., et al. (2017). Large magnetocrystalline anisotropy in tetragonally distorted Heuslers: a systematic study. Journal of Physics D: Applied Physics, 50(9): 095002, pp. 1-8. doi:10.1088/1361-6463/aa5441.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002D-222F-B
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 Fe(2)YZ with Y = (Ni, Co, Pt), and Co(2)YZ with Y = (Ni, Fe, Pt) where, in both cases, Z = (Al, Ga, Ge, In, Sn). We find that for the Co(2)NiZ, Co(2)PtZ, and Fe(2)PtZ families the cubic phase is always, at T = 0, unstable with respect to a tetragonal distortion, while, in contrast, for the Fe(2)NiZ and Fe(2)CoZ families this is the case for only 2 compounds-Fe2NiGe and Fe2NiSn. For all compounds in which a tetragonal distortion occurs we calculate the magnetocrystalline anisotropy energy (MAE) finding remarkably large values for the Pt containing IIeuslers, but also large values for a number of the other compounds (e.g. Co2NiGa has an MAE of -2.38 MJ m(-3)). The tendency to a tetragonal distortion we find to be strongly correlated with a high density of states (DOS) 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.