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

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$and O-2p orbitals at the interface between the metal and the insulator. On-site projected analysis show that the anisotropy energy is not localized at the interface but it rather propagates into the bulk showing an attenuating oscillatory behavior which depends on orbital character of contributing states and interfacial conditions. Furthermore, it is found in most situations that states with$d_{yz(xz)}$and$d_{z^2}$character tend always to maintain the PMA while those with$d_{xy}$and$d_{x^2-y^2}$character tend to favor the in-plane anisotropy. It is also found that while MgO thickness has no influence on PMA, the calculated perpendicular magnetic anisotropy oscillates as a function of Fe thickness with a period of 2ML and reaches a maximum value of 3.6 mJ/m$^2$.Comment: 5 pages, 5 figure

Site-resolved contributions to the magnetic anisotropy energy and complex spin structure of Fe/MgO sandwiches

Fe/MgO-based Magnetic Tunnel Junctions (MTJs) are among the most promising candidates for spintronic devices due to their high thermal stability and high tunneling magnetoresistance. Despite its apparent simplicity, the nature of the interactions between the Fe and MgO layers leads to complex finite size effects and temperature dependent magnetic properties which must be carefully controlled for practical applications. In this letter, we investigate the electronic, structural and magnetic properties of MgO/Fe/MgO sandwiches using first principles calculations and atomistic spin modeling based on a fully parameterized spin Hamiltonian. We find a large contribution to the effective interfacial magnetic anisotropy from the two-ion exchange energy. Minimization of the total energy using atomistic simulations shows a surprising spin spiral ground state structure at the interface owing to frustrated ferromagnetic and antiferromagnetic interactions, leading to a reduced Curie temperature and strong layer-wise temperature dependence of the magnetization. The different temperature dependences of the interface and bulk-like layers results in an unexpected non-monotonic temperature variation of the effective magnetic anisotropy energy and temperature-induced spin-reorientation transition to an in-plane magnetization at low temperatures. Our results demonstrate the intrinsic physical complexity of the pure Fe/MgO interface and the role of elevated temperatures providing new insight when interpreting experimental data of nanoscale MTJs

First-principles study of the Fe

MgO bilayer systems emphasizing the influence of the iron layer thickness on the geometry, the electronic structure and the magnetic properties. Our calculations ensure the unconstrained structural relaxation at scalar relativistic level for various numbers of iron layers placed on the magnesium oxide substrate. Our results show that due to the formation of the interface the electronic structure of the interface iron atoms is significantly modified involving charge transfer within the iron subsystem. In addition, we find that the magnetic anisotropy energy increases from 1.9 mJ m-2 for 3 Fe layers up to 3.0 mJ m-2 for 11 Fe layers

Vortex states in patterned exchange biased NiO/Ni samples

We investigated the magnetization reversal of arrays of exchange biased NiO/Ni squares with superconducting quantum interference device magnetometry and micromagnetic simulations. The edges of the squares were 0.5, 1.5, and 3.0 $\mu$m long. The NiO/Ni structures exhibit vortexlike hysteresis loops and micromagnetic calculations show that this feature is due to several vortices nucleating in the islands. Furthermore, for the arrays with squares of 1.5 $\mu$m edge length, the sign of the exchange bias field changes, as compared to the same continuous NiO/Ni layer. We attribute the vortex nucleation and the change of the exchange bias field to the interplay between shape and unidirectional anisotropy.Comment: 6 pages, 7 figure