Effect of step-step separation on surface diffusion processes

Durukanoglu S., Trushin O., Rahman T.

PHYSICAL REVIEW B, cilt.73, sa.12, 2006 (SCI İndekslerine Giren Dergi) identifier identifier


We present results of calculations of activation energy barriers for several processes involving a diffusing atom around a step edge on the (111), (100), and (110) surfaces of Cu using the nudged elastic band method with interaction potentials based on the embedded atom method. In the presence of a neighboring step, the Ehrlich-Schwoebel barrier for an adatom to undergo jump or exchange at a step edge is found to be independent of the separation between the steps unless they are at two-atom width apart, in which case the barrier is larger than that for an isolated step. The influence of the local step geometry on diffusion energetics is also discussed.