Subsurface diffusion in crystals and effect of surface permeability on the atomic step motion

Sci Rep. 2019 Sep 17;9(1):13428. doi: 10.1038/s41598-019-49681-1.

Abstract

A new theoretical approach to characterize the diffusion of both surface and bulk point defects in crystals is presented. In our model, atomic steps are considered as sources and sinks not only for adatoms and advacancies but also for self-interstitials and bulk vacancies, providing a new mechanism for bulk point defect generation and annihilation. It is shown that the creation and annihilation of self-interstitials and vacancies occur at atomic steps and can be described by introducing a diffusive layer of the bulk point defects adsorbed just below the surface. The atomic step rate of advance is studied taking into account finite permeability of the surface for bulk and surface point defects. The surface permeability results in the appearance of the dependence of the total step rate of advance not only on the supersaturation in vapor phase but also on the supersaturation of point defects in the bulk.