Reconstructions and faceting of H-covered Al(111)

Roland Stumpf

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arXiv · mtrl-th/9607008

Reconstructions and faceting of H-covered Al(111)

Roland Stumpf

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Abstract

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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Roland Stumpf. 1996-07-19. Reconstructions and faceting of H-covered Al(111). https://arxiv.org/abs/mtrl-th/9607008

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