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

J.P.A. Charlesworth, R.W. Godby, R.J. Needs

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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.
Original languageEnglish
Pages (from-to)31-36
Number of pages5
JournalEurophysics Letters
Publication statusPublished - 1994

Bibliographical note

© 1994 EDP Sciences, IOP Publishing and Società Italiana di Fisic.

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