Physics – Condensed Matter – Materials Science
Scientific paper
2003-06-16
Phys. Rev. B 68, 085323 (2003)
Physics
Condensed Matter
Materials Science
REVTeX 4, 11 pages, 6 EPS figures
Scientific paper
10.1103/PhysRevB.68.085323
Using a first-principle pseudopotential approach, we have investigated the Schottky barrier heights of abrupt Al/Ge, Al/GaAs, Al/AlAs, and Al/ZnSe (100) junctions, and their dependence on the semiconductor chemical composition and surface termination. A model based on linear-response theory is developed, which provides a simple, yet accurate description of the barrier-height variations with the chemical composition of the semiconductor. The larger barrier values found for the anion- than for the cation-terminated surfaces are explained in terms of the screened charge of the polar semiconductor surface and its image charge at the metal surface. Atomic scale computations show how the classical image charge concept, valid for charges placed at large distances from the metal, extends to distances shorter than the decay length of the metal-induced-gap states.
Baldereschi Alfonso
Berthod Christophe
Binggeli Nadia
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