First-principles investigation of the very large perpendicular magnetic anisotropy at Fe
- First-principles investigation of the very large perpendicular magnetic anisotropy at Fe; MgO and Co
- MgO and Co; MgO interfaces
- MgO interfaces
- H.X. Yang; M. Chshiev; B. Dieny; 이정훈; A. Manchon; 신경호
- Issue Date
- Physical review B, Condensed matter and materials physics
- VOL 84, NO 5, 054401-1-054401-5
- 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/㎠, at Fe; MgO interfaces are reported, in agreement with recent experiments. The origin of
PMA is attributed to overlap between O-pz and transition metal dz2 orbitals hybridized with dxz(yz) orbitals with
stronger spin-orbit coupling-induced splitting around the Fermi level for perpendicularmagnetization orientation.
Furthermore, it is shown that the PMA value weakens in the case of over- or underoxidation due to the fact that
oxygen pz and transitionmetal dz2 orbital overlap is strongly affected by disorder, in agreement with experimental
observations in magnetic tunnel junctions.
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