Münster 1999 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Downloads | Hilfe
O: Oberflächenphysik
O 27: Elektronische Struktur (Experiment und Theorie) (III)
O 27.7: Vortrag
Donnerstag, 25. März 1999, 12:45–13:00, S1
A handy approximation for the self-energy of semi-localized holes in filled-d-band metals — •Manuel Richter1, Helge Rosner1, Lamberto Duò2, Paolo Vavassori2, Wolfgang Schneider3, Serguei Molodtsov3, and Clemens Laubschat3 — 1Inst. f. Theoret. Physik, TU Dresden, D-01062 Dresden — 2INFM-Dipart. di Fisica, Politecnico di Milano, piazza L. da Vinci 32, I-20133 Milano — 3Inst. f. Oberflächen- u. Mikrostrukturphysik, TU Dresden, D-01062 Dresden
Photoemission spectra on metals and compounds with a filled d-band that is separated from the Fermi level are shown to deviate substantially from related calculations employing the local density approximation to density functional theory. We attribute these deviations to incomplete screening of the final d-hole in a situation where the quasi-particle life-time and the d-hopping time are of comparable magnitude. A scheme taking into account final state relaxation improves considerably the coincidence between theory and experiment. The extension of the d-hole exhibits a universal dependence on the relation between d-band width and binding energy.