AVS 46th International Symposium
    Surface Science Division Thursday Sessions
       Session SS1+EM+NS-ThA

Paper SS1+EM+NS-ThA5
Self-diffusion on Pt(110)-1x2: Ab-initio Barriers vs. Experiment@footnote 1@

Thursday, October 28, 1999, 3:20 pm, Room 606

Session: Metal/Metal Growth
Presenter: P.J. Feibelman, Sandia National Laboratories
Correspondent: Click to Email

Because it requires breaking more bonds, dimer diffusion by dissociation and recombination on clean Pt(110)-1x2 should cost more energy than the recently discovered@footnote 2@ "leapfrog" mechanism. Since cohesion per bond decreases with increasing coordination, the leapfrog mode should also have a lower barrier than monomer diffusion. Though first-principles calculations confirm these deductions, they are at odds with experiment, possibly signalling the influence of low-level surface contamination. @FootnoteText@ @footnote 1@ Work supported by the U. S. Department of Energy under Contract No. DE-AC04-94AL85000. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy @footnote 2@ T.R. Linderoth, et al., Phys. Rev. Lett. 82, 1494(1999); F. Montalenti and R. Ferrando, Phys. Rev. Lett. 82, 1498(1999).