Bulk and surface electron states in ruthenium

Using ab initio pseudopotentials and a mixed basis, we have examined the electronic structure of ruthenium. We have concentrated on the bulk and surface energy bands with specific emphasis on the close packed (0 0 0 1) surface. We present energy band spectra for the surface and bulk bands, and compare these bands to experiment and to other calculations. We find good agreement between our bulk bands and recent photoemission measurements. With respect to our surface bands, the results are in good accord with other calculations both for ruthenium and for “analogous” transition metal surfaces.