Abstract
We report a first princples study of the Schottky barrier of zinc blende (zb) AlN to Pt, Au, Al, W, In, and Cs. We find good agreement with the Schottky model for Pt, Au, Al, W, and In contacts. However, in the case of Cs, a spatially extended interface dipole formation results in significant deviation from the Schottky rule. Moreover, for the “cesiated” AlN surface, the electron affinity shifts from positive 2.0 eV for clean AlN to negative 1.8 eV in qualitative agreement with recent experiments by Wu and Kahn [C. I. Wu and A. Kahn, Appl. Surf. Sci. 162, 250 (2000)].
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