Electronic structure of palladium (100)

The electronic structure of palladium (100) is calculated using the self-consistent local orbital method. A work function of 5.0 eV is obtained. A large density of surface states is found that approaches the density found for Ni(100). A new method of displaying the electronic structure is introduced in which the densities of states in a number of small regions of the two-dimensional Brillouin zone are calculated. Plots of these →k_∥-selected densities of states (DOS) are given for →k_∥ vectors spanning the Γ-X̄(110) and Γ-M̄(100) directions. The →k_∥-selected DOS of the even mirror plane symmetry states were found to be quite different from those of the odd-symmetry states. This gives added importance to the use of polarized light in photoemission. These →k_∥-selected DOS vary rapidly with →k_∥ and with location relative to the surface. There are peaks in the surface plane projection which correspond to surface states. Hopefully the plots will facilitate the experimental identification of surface-state bands in metals.