Investigating the effect of geometrical asymmetry on conductance and TMR ratio in the ZnO rock salt-based MTJ: a DFT study

Abstract

Effects of geometrical asymmetry on spintronic properties of Fe/ZnO/Fe magnetic tunnel junction based on zinc oxide barrier tunnel with rock-salt crystalline structure is studied. Simulations are performed using density functional theory, and substituted layers of C, Mg, Al, Mo, and Ta are used to make geometrically asymmetric structures. The results indicate that this asymmetry has a substantial influence on the properties of the spin-dependent electronic transport, conductance, and the tunneling magneto-resistance (TMR) ratio of the pristine symmetric structure. Additionally, it is shown that geometrical asymmetry results in a sharp decrease in the TMR ratio in one of these junctions and causes a negative TMR ratio in the other four asymmetric structures. Due to the large conductance of the three pristine, C and Al substituted structures in the PA configuration, these structures can be used to generate the current with pure spin for experimental purposes.