Energies of <110> Coincidence Twist Boundaries, Stacking Faults, and Free Surfaces in Metal Oxides with NaCl Structure

摘要

A computer code developed for the determination of energies and structures of coincidence twist boundaries, stacking faults, and free surfaces is applied to MgO and NiO for which the energies of such <110> interfaces and the free surface are determined starting from empirical ionic central potentials. (ERA citation 81:026613)