Electronic and Vibrational Properties · Figs. 334 - 356

This chapter discusses electronic structure of 4d transition metals: yttrium (Y), niobium (Nb) and molybdenum (Mo). This chapter illustrates i) photoemission spectra at normal emission from Y(0001) for various incident photon energies, ii) surface bands and projected band structure, charge density distribution of T1, T2, T3, T4 and T5 surface states, bulk bands of Nb projected onto the two-dimensional Brillouin zone, iii) projected bulk band structure, energy of surfaces states and resonances, charge-density contour plot of a surface state R, local density of states for a surface layer, self-consistently screened local part of the potential averaged parallel to the (001) surface, extent of the absolute gaps G₁, and G₂ within an irreducible part of the surface BZ, location of surface states in the Brillouin zone, surface density of states, calculated energy of prominent surface states and resonance, and the local density of states on the first surface layer of Mo.