Figure 4

First-principles calculations of the magnetic anisotropy energy (MAE) in the Ir-doped Fe/MgO system. (a) Supercell structure used for the calculation of the MgO (5ML)/FeIr(5ML)/MgO(5ML) structure. (b) Layer-resolved MAE for Structure A (MgO/Fe(5ML)/MgO), Structure B (MgO/FeIr(5ML)/MgO), Structure C (MgO/FeIr(1ML)/Fe(3ML)/FeIr(1ML)/MgO) and Structure D (MgO/Fe(1ML)/FeIr (1ML)/Fe(1ML)/FeIr(1ML)/Fe(1ML)/MgO). The Ir concentration was maintained at 6.25% in each FeIr layer.