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

Anthony T L CHAN*, Jaime Souto-Casares, James R. Chelikowsky, Kai Ming Ho, Cai Zhuang Wang, S. B. Zhang

*Corresponding author for this work

Research output: Contribution to journalJournal articlepeer-review

1 Citation (Scopus)

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.

Original languageEnglish
Pages (from-to)43-46
Number of pages4
JournalSolid State Communications
Volume217
DOIs
Publication statusPublished - 11 Jun 2015

Scopus Subject Areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

User-Defined Keywords

  • A. Nanostructures
  • A. Quantum wells
  • A. Surfaces and interfaces
  • D. Electronic structure

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