U. König

Photoemission of Co/Cu(1 0 0). Non-relativistic spin- and angle-resolved normal emission

Abstract The Co/Cu(1 0 0) system is the first system known where the contributions to the spin polarisation of spin-orbit coupling and the ferromagnetic overlayer were clearly distinguisher experimentally. In order to get a first understanding of the contributions of the 3 d -overlayer and the substrate to the photocurrent, non-relativistic spin-polarised photo-emission calculations are performed, whereby ferromagnetic and paramagnetic configurations have been investigated.

A theoretical study of X-ray photoemission spectra (XPS) of some noble metal alloys: Au/Pt, Ag/Au, Ag/Pt and Au/Ni

Al−Kα XPS intensities are calculated for AuxPt1−x, AgxAu1−x, AgxPt1−x and AuxNi1−x using partial local densities of states as obtained from the fully relativistic KKR-CPA (GF) method and fully relativistic partial cross sections. It is found that the calculated spectra agree rather well with available angle integrated photoemission data.

A fully relativistic study of angle-resolved photoemission of the Au (1 1 1) surface

Abstract Results of a fully relativistic study of angle-resolved photoemission (ARPES) for the (1 1 1) surface of Au are presented. The calculations are based on FLAPW thin film potentials and a single-step model of photoemission. Λ 6 and Λ 4.5 initial state symmetries are investigated using linearly and circularly polarized light. For linearly polarized light the results are compared with experimental data.

A theoretical study of disorder in transition metal aluminides: Vacancies and antistructure atoms

Korringa-Kohn-Rostoker-Coherent-Potential-Approximation (KKR-CPA) calculations were performed on FeAl and NiAl in the CsCl structure with various concentrations of vacancies on the transition metal sublattice and antistructure atoms on both sublattices. It is found that transition metal vacancies only bring about minor changes in the density of states, whereas Fe atoms on the Al sublattice give rise to additional states near the Fermi energy. X-ray photoelectron spectra were calculated and-in the case of NiAl-compared with experiment.

A fully relativistic study of angle-resolved photoemission from Ag(1 0 0) and Au(1 0 0) surfaces

Abstract Results of a fully relativistic study of angle-resolved photoemission (ARPES) for the (1 0 0) surfaces of Ag and Au are presented. The calculations are based on FLAPW thin film potentials and a single-step model of photoemission. The results for Ag are compared with experimental data and a previous non-relativistic calculation. In the case of Au Δ 6 and Δ 7 initial state symmetries are investigated using linearly and circularly polarized light.