The nature of the aluminum-aluminum oxide interface: A nanoscale picture of the interfacial structure and energy-level alignment

Eung Gun Kim, Jean-Luc Bredas*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

16 Scopus citations

Abstract

We propose a new structural model for the Al(1 1 1)/Al2O 3(0 0 0 1) interface based on density functional theory calculations. The ultrathin interface structure is shown to consist of two Al layers, one that is oxide-like and the other metal-like. Our model interface reproduces the barrier height to the oxide conduction band edge and predicts the oxide overlayer to lower the metal work function by 0.49 eV.

Original languageEnglish (US)
Pages (from-to)569-574
Number of pages6
JournalOrganic Electronics
Volume14
Issue number2
DOIs
StatePublished - Jan 1 2013

Keywords

  • Aluminum
  • Aluminum oxide
  • Density functional theory
  • Interface structure
  • Interfacial level alignment
  • Work function

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Biomaterials
  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry
  • Electrical and Electronic Engineering

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