Effect of step-step separation on surface diffusion processes

Durukanoglu S., Trushin O., Rahman T.

PHYSICAL REVIEW B, vol.73, no.12, 2006 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 73 Issue: 12
  • Publication Date: 2006
  • Doi Number: 10.1103/physrevb.73.125426
  • Title of Journal : PHYSICAL REVIEW B


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.