Reconstructions and faceting of H-covered Al(111)

Details Reconstructions and faceting of H-covered Al(111) Reconstructions and faceting of H-covered Al(111)

1996-07-14

arxiv.org/abs/mtrl-th/9607008v2

Physics

Condensed Matter

Materials Science

6 pages, 2 figures, submitted to Phys. Rev. Lett

Scientific paper

First principles calculations show that H overlayers induce a honeycomb vacancy reconstruction on Al(111). Above one ML H coverage, Al(111) facets into surfaces vicinal to (111), with {100} faceted single and double steps and vacancies on the {111} terraces. These H induced reconstructions are stable because H binds more strongly to {100} than to {111} facets. Faceting of Al(111) explains step bunching in H-mediated epitaxy of Al(111). H-covered Al(100) is stable against faceting.

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