Estimates for Diffusion Barriers and Atomic Potentials in Mgo: Cndo/2 Calculations for the Study of Microwave Effects in Sintering

As part of a program of investigation of microwave sintering, self-consistent CNDO/2 calculations are presented for diffusion barriers and potentials for the motion of interstitial atoms and vacancies in MgO. Clusters of 30 atoms are used in the calculations. Activation energies, diffusion barriers, shape of the potentials and electron densities are obtained.