Abstract
A slab model employing a tight binding scheme is used to study changes in the electronic structure of hydrogen on a [0 0 1] diamond surface. We suggest that the valence band tailing observed in photoemission studies of the [1 1 1] surface reflects a range of atomic relaxations due to the presence of hydrogen which in turn effects the dispersion of the surface defect levels throughout the band structure. Electronic structure well into the bulk is affected by the surface adsorption of hydrogen and is far different from that of the perfect surface.
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