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First-principles Calculations of Magnetic Anisotropy of Fe and Co Films, Separated by Nonmagnetic Metallic Interlayers

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Abstract

The magnetic characteristics of Co and Fe monolayer films on Cu and Pt surfaces have been numerically calculated using the VASP software package. Dependences of a difference in the total energies of the antiferromagnetic and ferromagnetic configurations on the convergence parameters and nonmagnetic-material thickness are calculated. The values of magnetic anisotropy and atomic magnetic moments in the Co/Cu/Co, Fe/Pt/Fe, Co/Pt/Co, and Pt/Co/Cu/Co/Pt structures are determined in dependence of the surface-face orientation. The reorientation phenomenon in the Co/Cu/Co structure (when anisotropy of Co films, parallel to the surface plane, is changed to perpendicular anisotropy because of introduction of an ultrathin Pt film into the structure) is confirmed for the (110) and (111) faces.

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ACKNOWLEDGMENTS

The computational resources of the Shared Research Center of the Far East Branch of the Russian Academy of Sciences (Khabarovsk) were used.

Funding

This study was supported by the Russian Foundation for Basic Research (project no. 20-32-70189), the Ministry of Science and Higher Education of the Russian Federation (agreement no. 0741-2020-0002), and the President of the Russian Federation (grant no. MD-2229.2020.2).

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Authors and Affiliations

  1. Dostoevsky Omsk State University, 644077, Omsk, Russia

    M. V. Mamonova, M. Yu. Makeev, D. S. Kalinin & A. A. Zenova

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  1. M. V. Mamonova
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  2. M. Yu. Makeev
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  3. D. S. Kalinin
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  4. A. A. Zenova
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Correspondence to M. V. Mamonova.

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Translated by A. Sin’kov

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Mamonova, M.V., Makeev, M.Y., Kalinin, D.S. et al. First-principles Calculations of Magnetic Anisotropy of Fe and Co Films, Separated by Nonmagnetic Metallic Interlayers. Phys. Solid State 64, 56–63 (2022). https://doi.org/10.1134/S1063783422010127

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