Reconstructions and faceting of H-covered Al(111)

1996/07/14 by Roland Stumpf, Stumpf, Roland
Engineering · Materials Science · Physics and Astronomy · #Aluminum Alloy Microstructure Properties #Aluminum Alloys Composites Properties #Boron and Carbon Nanomaterials Research #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci #mtrl-th

paper · pdf · doi:10.48550/arxiv.mtrl-th/9607008

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

openalex publication_date 1996/07/14 · arxiv created 1996/07/19 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

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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