Kosolobov Sergey
Skolkovo Institute of Science and Technology, Center for Photonics and Quantum Materials, Moscow, 121205, Russia.
Sci Rep. 2019 Sep 17;9(1):13428. doi: 10.1038/s41598-019-49681-1.
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.
提出了一种表征晶体中表面和体相点缺陷扩散的新理论方法。在我们的模型中,原子台阶不仅被视为吸附原子和空位的源和汇,也被视为自间隙原子和体相空位的源和汇,这为体相点缺陷的产生和湮灭提供了一种新机制。结果表明,自间隙原子和空位的产生和湮灭发生在原子台阶处,并且可以通过引入吸附在表面下方的体相点缺陷的扩散层来描述。考虑到表面对体相和表面点缺陷的有限渗透率,研究了原子台阶的推进速率。表面渗透率导致总推进速率不仅依赖于气相中的过饱和度,还依赖于体相中缺陷的过饱和度。