I-V curves of Fe/MgO (001) single- and double-barrier tunnel junctions
J. Peralta-Ramos, A. M. Llois, I. Rungger, and S. Sanvito

TL;DR
This study uses ab initio calculations to analyze the current-voltage behavior of Fe/MgO magnetic tunnel junctions, revealing enhanced magnetoresistance and resonant tunneling effects in double-barrier configurations.
Contribution
First ab initio study of I-V characteristics in Fe/MgO (001) tunnel junctions, highlighting differences between single- and double-barrier structures and identifying resonant tunneling phenomena.
Findings
Double-barrier junctions show larger magnetoresistance.
Magnetoresistance decays slower with bias in double barriers.
Resonant tunneling peak at 0.1 V in double barriers.
Abstract
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…
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