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Register a new userImpurity induced enhancement of perpendicular magnetic anisotropy in Fe/MgO tunnel junctions
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Using first-principles calculations, we investigated the impact of chromium (Cr) and vanadium (V) impurities on the magnetic anisotropy and spin polarization in Fe/MgO magnetic tunnel junctions. It is demonstrated using layer resolved anisotropy calculation technique, that while the impurity near the interface has a drastic effect in decreasing the perpendicular magnetic anisotropy (PMA), its position within the bulk allows maintaining high surface PMA. Moreover, the effective magnetic anisotropy has a strong tendency to go from in-plane to out-of-plane character as a function of Cr and V concentration favoring out-of-plane magnetization direction for ~1.5 nm thick Fe layers at impurity concentrations above 20 %. At the same time, spin polarization is not affected and even enhanced in most situations favoring an increase of tunnel magnetoresistance (TMR) values.
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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$^2$.
Magnetic tunnel junctions with perpendicular anisotropy form the basis of the spin-transfer torque magnetic random-access memory (STT-MRAM), which is non-volatile, fast, dense, and has quasi-infinite write endurance and low power consumption. Based on density functional theory (DFT) calculations, we propose an alternative design of magnetic tunnel junctions comprising Fe(n)Co(m)Fe(n)/MgO storage layers with greatly enhanced perpendicular magnetic anisotropy (PMA) up to several mJ/m2, leveraging the interfacial perpendicular anisotropy of Fe/MgO along with a stress-induced bulk PMA discovered within bcc Co. This giant enhancement dominates the demagnetizing energy when increasing the film thickness. The tunneling magnetoresistance (TMR) estimated from the Julliere model is comparable with that of the pure Fe/MgO case. We discuss the advantages and pitfalls of a real-life fabrication of the structure and propose the Fe(3ML)Co(4ML)Fe(3ML) as a storage layer for MgO-based STT-MRAM cells. The large PMA in strained bcc Co is explained in the framework of Brunos model by the MgO-imposed strain and consequent changes in the energies of dyz and dz2 minority-spin bands.
The perpendicular magnetic anisotropy (PMA) at magnetic transition metal/oxide interfaces is a key element in building out-of-plane magnetized magnetic tunnel junctions for spin-transfer-torque magnetic random access memory (STT-MRAM). Size downscaling renders magnetic properties more sensitive to thermal effects. Thus, understanding temperature dependence of magnetic anisotropy becomes crucial. In this work, we theoretically address the correlation between temperature dependence of PMA and magnetization in typical Fe/MgO-based structures. In particular, the possible mechanisms behind experimentally reported deviations from the Callen and Callen scaling power law are analyzed. First-principles calculations reveal small high-order anisotropy terms ruling out an intrinsic microscopic mechanism underlying those deviations. Neglecting higher-order anisotropy terms in the atomisitic spin Hamiltonian, two possible extrinsic macroscopic mechanisms are unveiled: influence of the dead layer, always present in storage layer of STT-MRAM cells, and spatial inhomogeneities of interfacial magnetic anisotropy. We show that presence of a dead layer simultaneously with scaling the anisotropy constant by the total magnetization of the sample rather than that of the interface itself lead to low scaling powers. In the second mechanism, increasing the percentage of inhomogeneity in the interfacial PMA is revealed to decrease the scaling power. Apart from those different mechanisms, the layer-resolved temperature-dependence of PMA is shown to ideally follow the Callen and Callen scaling power law for each individual Fe layer. These results allow coherently explaining the difference in scaling powers relating anisotropy and magnetization thermal variations reported in earlier experiments. This is crucial for the understanding of the thermal stability of the storage layer magnetization in STT-MRAM applications.
While the effects of lattice mismatch-induced strain, mechanical strain, as well as the intrinsic strain of thin films are sometimes detrimental, resulting in mechanical deformation and failure, strain can also be usefully harnessed for applications such as data storage, transistors, solar cells, and strain gauges, among other things. Here, we demonstrate that quantum transport across magnetic tunnel junctions (MTJs) can be significantly affected by the introduction of controllable mechanical strain, achieving an enhancement factor of ~2 in the experimental tunneling magnetoresistance (TMR) ratio. We further correlate this strain-enhanced TMR with coherent spin tunneling through the MgO barrier. Moreover, the strain-enhanced TMR is analyzed using non-equilibrium Greens function (NEGF) quantum transport calculations. Our results help elucidate the TMR mechanism at the atomic level and can provide a new way to enhance, as well as tune, the quantum properties in nanoscale materials and devices.
Alloying Fe electrodes with V, through reduced FeV/MgO interface mismatch in epitaxial magnetic tunnel junctions with MgO barriers, notably suppresses both nonmagnetic (parallel) and magnetic (antiparallel) state 1/f noise and enhances tunnelling magnetoresistance (TMR). A comparative study of the room temperature electron transport and low frequency noise in Fe1-xVx/MgO/Fe and Fe/MgO/Fe1-xVx MTJs with 0 <= x <= 0.25 reveals that V doping of the bottom electrode for x < 0.1 reduces in nearly 2 orders of magnitude the normalized nonmagnetic and magnetic 1/f noise. We attribute the enhanced TMR and suppressed 1/f noise to strongly reduced misfit and dislocation density.
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