Strain-Dependence of Surface Diffusion: Ag on Ag(111) and Pt(111)

Details Strain-Dependence of Surface Diffusion: Ag on Ag(111) and Pt(111) Strain-Dependence of Surface Diffusion: Ag on Ag(111) and Pt(111)

1997-02-03

arxiv.org/abs/cond-mat/9702025v1

Physics

Condensed Matter

Materials Science

4 pages, 3 figures, Phys. Rev. B 55 (1997), in press

Scientific paper

10.1103/PhysRevB.55.6750

Using density-functional theory with the local-density approximation and the generalized gradient approximation we compute the energy barriers for surface diffusion for Ag on Pt(111), Ag on one monolayer of Ag on Pt(111), and Ag on Ag(111). The diffusion barrier for Ag on Ag(111) is found to increase linearly with increasing lattice constant. We also discuss the reconstruction that has been found experimentally when two Ag layers are deposited on Pt(111). Our calculations explain why this strain driven reconstruction occurs only after two Ag layers have been deposited.

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