Ultrathin Pd and Pt Films on W(211)

• The transition metals Pd and Pt have, in bulk, approximately the samenearest neighbor distance as tungsten, so that ultrathin Pd or Pt filmscan be grown on W substrates without creating significant strain.In the present work we studyultrathin Pd and Pt films on the atomically rough W(211) surface byfirst-principles density-functional theory (DFT) methods.Previous experiments, summarized here, have shown that in filmsthicker than 1 physical monolayer (PML), tungsten atoms of the substratediffuse into the film to create alloys. Both toconfirm the alloy formation from theory and to help characterize the alloyswe present studies of Pd and Pt films with included W atoms. The DFT resultsallow us to indicate the energetically preferred alloy structures.

Subject headings

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

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art (subject category)

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