Table 1. Optimized interlayer distances (Å), and magnetic moments (μB) of Fe(1) at the Fe|MgO and Fe(2) and Ta atoms at the Ta|Fe interface of Ta|Fe|MgO for different strains in the zero electric field.
η | a | dFe–O | dFe–Ta | MFe(1) | MFe(2) | MTa |
---|---|---|---|---|---|---|
−4% | 2.860 | 2.21 | 1.79 | 2.862 | 2.146 | −0.068 |
−2% | 2.918 | 2.13 | 1.51 | 2.676 | 1.517 | −0.266 |
0 | 2.978 | 2.08 | 1.45 | 2.670 | 1.502 | −0.316 |
Strain at the experimental lattice constant (a = 2.987 Å) of MgO is taken as reference. The largest compressive strain with η = −4% considered in this study corresponds to the experimental lattice constant (a = 2.86 Å) of bulk Fe.