Pseudopowder XRD mapping of an epitaxial MgO film deposited on Si substrate. All the reflections from samples can be observed by scan with sample rotating around the azimuthal together with the varying zenithal axis.
In-plane scan of an epitaxial MgO film deposited on a Si(001) substrate.
The initial configurations of Mg and O atoms for the (a) first and (b) second nearest neighbor Schottky defects (1NN and 2NN). (c) 1NN and (d) 2NN configurations in larger supercell. The gray atoms show vacancies of Mg (small circle) and O atoms (large circle).
Optimal lattice constants with Schottky defects. The ordinate shows lattice constant and the abscissa indicates the density of mass, which is corresponding to occupation ratio of crystal structure. The dashed and solid lines are resultants using TM and GTH psedopotentials, respectively. The solid circle indicates half lattice constant and mass density of cubic spinal MgO as reference.
Article metrics loading...
Full text loading...