Abstract
Intensity-voltage ( I- V) curves for Ni(001) c(2 × 2)-CO are calculated using phase shifts obtained from self-consistent Xα potentials. The CO scattering potentials are constructed such that the distances between C-O and between Ni-C are compatible with the optimal structure determined. The calculated I- V curves are compared with recent data at normal and off-normal incidences. The accuracy of an approximation scheme is tested against a full dynamical calculation for the Ni(001) c(2 × 2)-CO system.
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