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The role of quantum confinement in the formation of Schottky barriers in Pb-Si interfaces

TitleThe role of quantum confinement in the formation of Schottky barriers in Pb-Si interfaces
Publication TypeJournal Article
Year of Publication2015
AuthorsChan, TL, Souto-Casares, J, Chelikowsky, JR, Ho, KM, Wang, CZ, Zhang, SB
JournalSolid State Communications
Volume217
Pagination43-46
Date Published09
Type of ArticleArticle
ISBN Number0038-1098
Accession NumberWOS:000358461700010
Keywordscontacts, Electronic, fermi-level, height, nanostructures, Quantum wells, structure, surface-states, Surfaces and interfaces, systems
Abstract

Schottky barriers form when semiconductors are in contact with metal overlayers establishing a common Fermi level. Few theoretical studies of these materials exist as electronic structure calculations are computationally intensive for mismatched interfaces. We explicitly model a Pb(111) film on a Si(111) substrate. For thick Pb overlayers, we find a bulk regime where the Fermi level is pinned. For thin film regimes (less than five overlayers), structural relaxations dominate the interfacial energy as charge transfer is suppressed by quantum confinement. In this case, the Schottky barrier height follows the trend of the metal work function. (C) 2015 Elsevier Ltd. All rights reserved.

DOI10.1016/j.ssc.2015.05.014
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Exploratory Theory