Anatomy of perpendicular magnetic anisotropy in Fe/MgO magnetic tunnel junctions: First-principles insight

A. Hallal, H. X. Yang, B. Dieny, and M. Chshiev
Phys. Rev. B 88, 184423 – Published 21 November 2013

Abstract

Using first-principles calculations, we elucidate microscopic mechanisms of perpendicular magnetic anisotropy (PMA) in Fe/MgO magnetic tunnel junctions through evaluation of orbital and layer resolved contributions into the total anisotropy value. It is demonstrated that the origin of the large PMA values is far beyond simply considering the hybridization between Fe-3d and O-2p orbitals at the interface between the metal and the insulator. Onsite projected analysis shows that the anisotropy energy is not localized at the interface but it rather propagates into the bulk showing an attenuating oscillatory behavior which depends on orbital character of contributing states and interfacial conditions. Furthermore, it is found in most situations that states with dyz(xz) and dz2 character tend always to maintain the PMA while those with dxy and dx2y2 character tend to favor the in-plane anisotropy. It is also found that while MgO thickness has no influence on PMA, the calculated perpendicular magnetic anisotropy oscillates as a function of Fe thickness with a period of 2 ML and reaches a maximum value of 3.6 mJ/m2.

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  • Received 13 August 2013

DOI:https://doi.org/10.1103/PhysRevB.88.184423

©2013 American Physical Society

Authors & Affiliations

A. Hallal, H. X. Yang, B. Dieny, and M. Chshiev*

  • SPINTEC, UMR CEA/CNRS/UJF-Grenoble 1/Grenoble-INP, INAC, 38054 Grenoble, France

  • *mair.chshiev@cea.fr

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Vol. 88, Iss. 18 — 1 November 2013

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