Fe- and Co-based magnetic tunnel junctions with AlN and ZnO spacers

preprint2022arXivOpen access

Abstract

AlN and ZnO, two wide band-gap semiconductors extensively used in the display industry, crystallise in the wurtzite structure, which can favour the formation of epitaxial interfaces to close-packed common ferromagnets. Here we explore these semiconductors as material for insulating barriers in magnetic tunnel junctions. In particular, the {\it ab initio} quantum transport code {\it Smeagol} is used to model the XX[111]/YY[0001]/XX[111] (X=X= Co and Fe, Y=Y= AlN and ZnO) family of junctions. Both semiconductors display a valance-band top with pp-orbital character, while the conduction band bottom exhibits ss-type symmetry. The smallest complex-band decay coefficient in the forbidden energy-gap along the [0001] direction is associated with the Δ1Δ_1 symmetry, and connects across the band gap at the ΓΓ point in 2D Brillouin zones. This feature enables spin filtering and may result in a large tunnelling magnetoresistance. In general, we find that Co-based junctions present limited spin filtering and little magnetoresistance at low bias, since both spin sub-bands cross the Fermi level with Δ1Δ_1 symmetry. This contrasts the situation of Fe, where only the minority Δ1Δ_1 band is available. However, even in the case of Fe the magnitude of the magnetoresistance at low bias remains relatively small, mostly due to conduction away from the ΓΓ point and through complex bands with symmetry different than Δ1Δ_1. The only exception is for the Fe/AlN/Fe junction, where we predict a magnetoresitance of around 1,000\% at low bias.

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