0000000000824683
AUTHOR
F Da Pieve
Real-space multiple scattering method for angle-resolved photoemission and valence-band photoelectron diffraction and its application to Cu(111)
Abstract: A computational method is presented for angle-resolved photoemission spectra (ARPES) and photoelectron diffraction (PED) in the ultraviolet regime. The one-step model is employed and both initial valence and final continuum states are calculated using the finite-cluster, real-space multiple scattering method. Thereby the approach is versatile and provides a natural link to core-level PED. The method is applied to the Cu(111) valence band and good agreement with experiment is found for both ARPES spectra and PED patterns. When the PED patterns are integrated over a filled band of a single-orbital symmetry, such as Cu-3d, we show, both numerically and analytically, that the exact th…
Multiple scattering approach for two-electron resonant emission studied by angle-resolved coincidence spectroscopy.
International audience; We have developed a generalization of the multiple-scattering formalism to deal with Auger-photoelectron coincidence spectroscopy APECS in the solid state. We have merged the exact atomic treatment of the angular correlations between the two electrons and the single-particle approach, on which the multiplescattering description of condensed matter relies. This allows the recovering, even in extended systems, of the entangled form of the electron-pair wave function characterizing the coincidence angular diffraction pattern. In the atomic limit our formalism correctly reproduces the cross section, as calculated within the statistical-tensors approach, usually employed …