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We investigate the thermoelectric properties of Fe/MgO/Fe(001) magnetictunnel junctions (MTJs) by means of the linear-response theory combined with afirst-principles-based Landauer-B\"uttiker approach. We find that the Seebeckcoefficient of Fe/MgO/Fe(001) MTJs strongly depends on the barrier thicknessand the tetragonal distortion. A compressive tetragonal distortion of thein-plane lattice parameter in the MTJs provides interface resonant states justabove the Fermi energy. This causes resonant tunneling in the MTJs andsignificantly enhances the Seebeck coefficient when the thickness of the MgObarrier is around 1 nm (four or five atomic layers of MgO). Moreover, anextensive tetragonal distortion of the in-plane lattice parameter pushes theinterface states away from the Fermi energy, leading to a reduction of theSeebeck coefficient. Furthermore, we find that the interface resonant tunnelingenhances the power factor of the MTJs for the compressive distortion. Theseresults indicate that control of the barrier thickness and the tetragonaldistortion will be effective for maximizing the thermoelectric properties ofMTJs.

Strain-induced enhancement of the Seebeck effect in magnetic tunneling junctions via interface resonant tunneling: Ab-initio study