Effect of stacking faults on the magnetocrystalline anisotropy of hcp Co: a first-principles study

In terms of the fully relativistic screened Korringa-Kohn-Rostoker method we investigate the effect of stacking faults on the magnetic properties of hexagonal close-packed cobalt. In particular, we consider the formation energy and the effect on the magnetocrystalline anisotropy energy (MAE) of four...

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Bibliographic Details
Published in:arXiv.org 2013-04
Main Authors: Aas, C J, Szunyogh, L, Evans, R F L, Chantrell, R W
Format: Article
Language:English
Subjects:
Anisotropy
Cobalt
Deformation
Energy of formation
First principles
Free energy
Heat of formation
Magnetic properties
Stacking faults
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Summary:In terms of the fully relativistic screened Korringa-Kohn-Rostoker method we investigate the effect of stacking faults on the magnetic properties of hexagonal close-packed cobalt. In particular, we consider the formation energy and the effect on the magnetocrystalline anisotropy energy (MAE) of four different stacking faults in hcp cobalt -- an intrinsic growth fault, an intrinsic deformation fault, an extrinsic fault and a twin-like fault. We find that the intrinsic growth fault has the lowest formation energy, in good agreement with previous first-principles calculations. With the exception of the intrinsic deformation fault which has a positive impact on the MAE, we find that the presence of a stacking fault generally reduces the MAE of bulk Co. Finally, we consider a pair of intrinsic growth faults and find that their effect on the MAE is not additive, but synergic.
ISSN:2331-8422