Rate theory for correlated processes: Double-jumps in adatom diffusion

Details Rate theory for correlated processes: Double-jumps in adatom diffusion Rate theory for correlated processes: Double-jumps in adatom diffusion

1997-07-04

arxiv.org/abs/cond-mat/9707048v1

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevLett.79.2843

We study the rate of activated motion over multiple barriers, in particular the correlated double-jump of an adatom diffusing on a missing-row reconstructed Platinum (110) surface. We develop a Transition Path Theory, showing that the activation energy is given by the minimum-energy trajectory which succeeds in the double-jump. We explicitly calculate this trajectory within an effective-medium molecular dynamics simulation. A cusp in the acceptance region leads to a sqrt{T} prefactor for the activated rate of double-jumps. Theory and numerical results agree.

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