Electronic structure of ideal and nonideal metal/GaAs contacts

Mark Van Schilfgaarde, N. Newman

Research output: Contribution to journalArticlepeer-review

13 Scopus citations


On the basis of explicit first-principles electronic structure calculations of a number of ideal and nonideal metal/GaAs interfaces, we show that nonidealities and imperfections play a major role in determining the Schottky barrier height. For the ideal interfaces, the calculated pinning positions ranged from 0 to 1 eV above the valence-band maximum, in contradiction to experiment. As one example of a defect, we incorporate an As antisite defect near the interface, and show that it significantly alters the electronic structure and Schottky barrier height.

Original languageEnglish (US)
Pages (from-to)2140-2145
Number of pages6
JournalJournal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures
Issue number4
StatePublished - Jul 1 1991
Externally publishedYes


  • Ab initio calculations
  • Energy-level density
  • Gallium arsenides
  • Interface states
  • Metals
  • Pinning
  • Potential barrier
  • Schottky barrier diodes

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electrical and Electronic Engineering


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