First-principle study on the electronic structure and magnetic properties in Fe/MgO/Fe magnetic tunnel junction with Mg insertion layer

Abstract The effect of a Mg insertion layer between the Fe electrode and the MgO barrier layer on the electronic structure and magnetic properties of Fe/MgO/Fe magnetic tunnel junction has been studied by first-principle method. Two models of (a) Fe(1 0 0)/MgO(1 0 0)/Fe(1 0 0) and (b) Fe(1 0 0)/Mg/MgO(1 0 0)/Mg/Fe(1 0 0) were established. Our calculation results show that the Mg insertion layer has enhanced both the spin polarization and the magnetic moment of its adjacent Fe layer. The results have been discussed in terms of the variation in the DOS features and charge transfer with the Mg insertion layer.