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American Physical Society, Physical Review B (Condensed Matter), 23(56), p. 14921-14924

DOI: 10.1103/physrevb.56.14921

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Effects of interface morphology on Schottky-barrier heights: A case study on Al/GaAs(001)

Journal article published in 1997 by Alice Ruini ORCID, Raffaele Resta, Stefano Baroni ORCID
This paper is available in a repository.
This paper is available in a repository.

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Abstract

The problem of Fermi-level pinning at semiconductor-metal contacts is readdressed starting from first-principles calculations for Al/GaAs. We give quantitative evidence that the Schottky barrier height is very little affected by any structural distortions on the metal side - including elongations of the metal-semiconductor bond (i.e. interface strain) - whereas it strongly depends on the interface structure on the semiconductor side. A rationale for these findings is given in terms of the interface dipole generated by the ionic effective charges.