Electronic states and adsorbate-Induced photoemission structure on the Pd(111) surface

The electronic structure of the Pd(111) surface is calculated using a recently developed mixed-basis pseudopotential method. Fully self-consistent results, including surface states, work function, local densities of states, and electronic charge densities, are presented. The commonly observed adsorbate-induced changes in d-band structure in the photoemission spectra are interpreted in terms of the surface states. An s-p-like intrinsic surface-state band similar to the one observed on Cu(111) is also predicted. © 1978 The American Physical Society.