Investigation of the electronic properties of the surface and bulk forms of gold and palladium

The density of electronic states for bulk metals Au and Pd, their surfaces in the form of polycrystalline surface layers of nanometer thickness is investigated. The calculations were performed using density functional theory with pseudopotential in full relativistic approximation. Approximations have been found that provide calculations the density of electronic states of noble metal surfaces that describe the experimentally observed features of XPS spectra of the valence band of these metals. (paper)