ELECTRONIC STATES OF (2X1) AND (1X1) (111) SURFACES OF GE, SI, DIAMOND, GAAS AND GE ON SI
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The "dangling-bond" surface state dispersion curves, E(k), have been calculated for the (2 1) and (1 1) (111) surfaces of Ge, Si, and diamond, for (1 1) GaAs, and for (2 1) Ge on Si. The calculations employ the sp3s* empirical tight-binding model of Vogl et al. and the atomic relaxation of Feder et al. The surface state band gaps are in good agreement with optical-absorption and electron-energy-loss measurements for Ge and Si. For the assumed epitaxial geometry, Ge on Si is predicted to shift the dangling-bond states downward by 0.1 to 0.4 eV. 1982.