Ab initio calculations of electric-field-induced stress profiles for diamond/c-BN (110) superlattices

We have investigated microscopic distributions of the electric-field-induced stress components for diamond/c-BN (110) superlattices with ab initio calculations. At zero electric field, tensile and compressive stresses exist for the diamond and BN layers, respectively, in the plane perpendicular to the stacking direction. Applying a static electric field, forces act on the B and N atoms and an apparent shear stress field appears in the BN layers. With atomic position relaxed, the shear stress extends to the whole region.