Full text loading...
supercell of used for the calculations of additional oxygen located at the interface and oxygen vacancy in the middle of MgO layer.
In plane lattice constant of as a function of MgO thickness.
IEC for calculated using ab initio and tight-binding methods together with experimental results taken from Ref. 3.
IEC for pure structure (black squares), for the case with oxygen vacancy in the MgO layer (red circles), and two cases with 1/8 (blue up triangles) and 1/4 (purple down triangles) oxygen at the interface as a function of MgO thickness. The experimental results for IEC with high (green diamond) and low (orange hexagon) conditions are taken from Ref. 9.
Interlayer distances (Å) of . Unrelaxed results are taken from Ref. 15, the values of are taken from Ref. 16.
Article metrics loading...