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Quantum confinement induced oscillatory electric field on a stepped Pb(111) film and its influence on surface reactivity

TitleQuantum confinement induced oscillatory electric field on a stepped Pb(111) film and its influence on surface reactivity
Publication TypeJournal Article
Year of Publication2014
AuthorsLiu, XJ, Wang, CZ, Hupalo, M, Lin, HQ, Ho, KM, Tringides, MC
JournalPhysical Review B
Volume89
Pagination041401
Date Published01
Type of ArticleArticle
ISBN Number1098-0121
Accession NumberWOS:000332177400002
Keywordsmetal-films, total-energy calculations, wave basis-set, work function
Abstract

When the thickness of ultrathin metal films approaches the nanometer scale comparable to the coherence length of the electrons, significant effects on the structure stability and the electronic properties of the metal films emerge due to electron confinement and quantization of the allowed electronic states in the direction perpendicular to the film. Using first-principles calculations, we showed that such quantum size effects can induce oscillatory electrostatic potential and thus alternating electric field on the surface of the wedge-shaped Pb(111) films. The alternating electric field has significant influence on surface reactivity, leading to selective even- or odd-layer adsorption preference depending on the charge state of the adatoms, consistent with the odd-layer preference of higher Mg coverage on wedge-shaped Pb(111) films, as observed in experiment.

DOI10.1103/PhysRevB.89.041401
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Surface Structures