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Transmission spectra of Fe/MgO (001) double-barrier tunnel junctions at finite bias

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 Publication date 2008
  fields Physics
and research's language is English




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In this contribution, we calculate in a self-consistent way the ballistic transmission as a function of energy of one Fe/MgO (001) single-barrier and one double-barrier tunnel junction, relating them to their electronic structure. The transmission spectra of each kind of junction is calculated at different applied bias voltages. We focus on the impact that bias has on the resonant tunneling mediated by surface and quantum well states. The calculations are done in the coherent regime, using a combination of density functional theory and non-equilibrium Greens functions, as implemented in the {it ab initio} code {it SMEAGOL}. We conclude that, for both kinds of junction, the transmission functions depend on the applied bias voltage. In the single-barrier junction, transport mediated by resonant Fe minority surface states is rapidly destroyed by bias. In the double-barrier junction, the appearance of resonant tunneling through majority quantum well states is strongly affected by bias.



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In this work, we calculate with ab initio methods the current-voltage characteristics for ideal single- and double-barrier Fe/MgO (001) magnetic tunnel junctions. The current is calculated in the phase-coherent limit by using the recently developed SMEAGOL code, combining the nonequilibrium Green function formalism with density-functional theory. In general we find that double-barrier junctions display a larger magnetoresistance, which decays with bias at a slower pace than their single-barrier counterparts. This is explained in terms of enhanced spin filtering from the middle Fe layer sandwiched in between the two MgO barriers. In addition, for double-barrier tunnel junctions, we find a well defined peak in the magnetoresistance at a voltage of V=0.1 V. This is the signature of resonant tunneling across a majority quantum well state. Our findings are discussed in relation to recent experiments.
Giant tunnel magnetoresistance (TMR) ratios of 417% at room temperature (RT) and 914% at 3 K were demonstrated in epitaxial Fe/MgO/Fe(001) exchanged-biased spin-valve magnetic tunnel junctions (MTJs) by tuning growth conditions for each layer, combining sputter deposition for the Fe layers, electron-beam evaporation of the MgO barrier, and barrier interface tuning. Clear TMR oscillation as a function of the MgO thickness with a large peak-to-valley difference of ~80% was observed when the layers were grown on a highly (001)-oriented Cr buffer layer. Specific features of the observed MTJs are symmetric differential conductance (dI/dV) spectra for the bias polarity and plateau-like deep local minima in dI/dV (parallel configuration) at |V| = 0.2~0.5 V. At 3K, fine structures with two dips emerge in the plateau-like dI/dV, reflecting highly coherent tunneling through the Fe/MgO/Fe. We also observed a 496% TMR ratio at RT by a 2.24-nm-thick-CoFe insertion at the bottom-Fe/MgO interface.
We demonstrate a spin diode consisting of a semiconductor free nano-scale Fe/MgO-based double tunnel junction. The device exhibits a near perfect spin-valve effect combined with a strong diode effect. The mechanism consistent with our data is resonant tunneling through discrete states in the middle ferromagnetic layer sandwiched by tunnel barriers of different spin-dependent transparency. The observed magneto-resistance is record high, ~4000%, essentially making the structure an on/off spin-switch. This, combined with the strong diode effect, ~100, offers a new device that should be promising for such technologies as magnetic random access memory and re-programmable logic.
290 - J. Peralta-Ramos , , A. M. Llois 2008
In this contribution, we calculate the spin-dependent ballistic and coherent transport through epitaxial Fe/ZnSe (001) simple and double magnetic tunnel junctions with two different interface terminations: Zn-terminated and Se-terminated. The electronic structure of the junctions is modeled by a second-nearest neighbors {it spd} tight-binding Hamiltonian parametrized to {it ab initio} calculated band structures, while the conductances and the tunneling magnetoresistance are calculated within Landauers formalism. The calculations are done at zero bias voltage and as a function of energy. We show and discuss the influence of the interface structure on the spin-dependent transport through simple and double tunnel junctions.
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The interface structure of Fe/MgO(100) magnetic tunnel junctions predicted by density functional theory (DFT) depends significantly on the choice of exchange and correlation functional. Bader analysis reveals that structures obtained by relaxing the cell with the local spin-density approximation (LSDA) display a different charge transfer than those relaxed with the generalized gradient approximation (GGA). As a consequence, the electronic transport is found to be extremely sensitive to the interface structure. In particular, the conductance for the LSDA-relaxed geometry is about one order of magnitude smaller than that of the GGA-relaxed one. The high sensitivity of the electronic current to the details of the interface might explain the discrepancy between the experimental and calculated values of magnetoresistance.
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