2011

First-principles investigation of the very large Perpendicular Magnetic Anisotropy at Fe|MgO Interfaces

First-principles investigation of the very large Perpendicular Magnetic Anisotropy at Fe|MgO Interfaces
H. X. Yang, J. H. Lee, M. Chshiev, A. Manchon, K. H. Shin, and B. Dieny
Phys. Rev. B 84, 054401 (2011)​​​​​
H.X. Yang, J.H. Lee, M. Chshiev, A. Manchon, K.H. Shin, B. Dieny
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2011
The perpendicular magnetic anisotropy (PMA) arising at the interface between ferromagnetic transition metals and metallic oxides was investigated via first-principles calculations. In this work very large values of PMA, up to 3 erg/cm2, at Fe|MgO interfaces are reported, in agreement with recent experiments. The origin of PMA is attributed to overlap between Opz and transition metal dz2 orbitals hybridized with dxz(yz) orbitals with stronger spin-orbit coupling-induced splitting around the Fermi level for perpendicular magnetization orientation. Furthemore, it is shown that the PMA value weakens in case of over- or underoxidation when oxygen pz and transition metal dz2 orbitals overlap is strongly affected by disorder, in agreement with experimental observations in magnetic tunnel junctions.