Abstract
Theory and experiment show that a substitutional mode dominates self-diffusion on several fcc(00l) metal surfaces—Al, for which the calculations were performed, and Pt and Ir, for which the unusual signature of substitutional diffusion has been observed—namely a preference for motion in [100] and [010] directions. The first principles electronic structure calculations for A1 show that the dominance of substitutional over ordinary hopping diffusion stems from the fact that higher bond-order can be maintained in the substitutional process.
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© 1992 Springer-Verlag Berlin Heidelberg
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Feibelman, P.J., Kellogg, G.L. (1992). Self-Diffusion by Place Exchange on Smooth Surfaces. In: Ponce, F.A., Cardona, M. (eds) Surface Science. Springer Proceedings in Physics, vol 62. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-76376-2_5
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DOI: https://doi.org/10.1007/978-3-642-76376-2_5
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