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First-principles study of the effects of interface structure on the Schottky barrier height of the GaAs(110)/Al interface

Needs, R.J., Charlesworth, J.P.A. and Godby, R.W. (1994) First-principles study of the effects of interface structure on the Schottky barrier height of the GaAs(110)/Al interface. Europhysics Letters, 25. pp. 31-36. ISSN 0295-5075

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Abstract

The relaxed atomic structures, energies, and Schottky barrier heights of six translation states of the Al-GaAs(110) interface are calculated using a first-principles pseudopotential technique. The Schottky barrier height varies by 0.7 eV depending on the translation state, even though the energies of the structures are very similar. The lowest-energy translation state, which has not been considered in any previous studies, is the only one which allows every interface atom to participate in bonding across the interface. For each of the unrelaxed interface structures the Fermi level is pinned very close to the local charge neutrality level.

Item Type: Article
Copyright, Publisher and Additional Information: © 1994 EDP Sciences, IOP Publishing and Società Italiana di Fisic.
Institution: The University of York
Academic Units: The University of York > Physics (York)
Depositing User: Physics Import
Date Deposited: 09 Oct 2008 13:57
Last Modified: 09 Oct 2008 15:10
Published Version: http://dx.doi.org/10.1209/0295-5075/25/1/006
Status: Published
Publisher: EDP Sciences, IOP Publishing and Società Italiana di Fisic
Identification Number: 10.1209/0295-5075/25/1/006
Related URLs:
URI: http://eprints.whiterose.ac.uk/id/eprint/3981

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