Quantum stabilities and growth modes of thin metal films: Unsupported and NiAl-supported Ag(110) and Ag(100)

TitleQuantum stabilities and growth modes of thin metal films: Unsupported and NiAl-supported Ag(110) and Ag(100)
Publication TypeJournal Article
Year of Publication2008
AuthorsHan Y, Evans JW, Liu DJ
Journal TitleSurface Science
Volume602
Pages2532-2540
Date PublishedJul
Type of ArticleArticle
ISBN Number0039-6028
Accession NumberISI:000259062200036
KeywordsAg films, ag islands, alloys, au, density functional theory, electron-density, energy, epitaxial growth, free-electron model, HEIGHT, metal films, NiAl, OSCILLATIONS, pb, quantum size effect, SI(111)-(7X7) SURFACES, surface energy
Abstract

We present density functional theory (DFT) analyses of the stability of Ag thin films versus film thicknesses for various surface orientations. We include benchmark results for freestanding films, but consider in detail Ag(1 1 0) films supported on a NiAl(1 1 0) substrate, and Ag(1 0 0) films supported on a NiAl(1 0 0) substrate. The supported films exhibit an almost perfect lattice-match between film and substrate surface unit cells, so one can assess film stability in the absence of significant lateral mismatch strain. We also provide a characterization of film growth modes for these NiAl-supported Ag films based on DFT results for the relevant energetics. (C) 2008 Elsevier B.V. All rights reserved.

DOI10.1016/j.susc.2008.05.040
Alternate JournalSurf. Sci.