Regensburg 2004 – scientific programme

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O: Oberflächenphysik

O 44: Elektronische Struktur (Experiment und Theorie) III

O 44.5: Talk

Friday, March 12, 2004, 12:15–12:30, H38

Resonant photoemission spectra and electronic structure of RT₂ compounds (R = Ce, Pr, Nd; T = Co, Rh, Ir) — •Yuri Kucherenko, Serguei Molodtsov, and Clemens Laubschat — Institut für Festkörperphysik, TU Dresden, D-01062 Dresden

Resonant 4f photoemission spectra of RT₂ Laves-phase compounds (R = Ce, Pr, Nd; T = Co, Rh, Ir) taken at the 4d → 4f excitation threshold are analysed in the framework of the single-impurity Anderson model. The theoretical simulation of the shape of the photoemission spectra is performed taking into account both surface and bulk contributions to the spectral intensity. For a given T element the hybridization strength is found to decrease in going from Ce to Nd as one would expect, but the decrease is fairly slow (by about 20%). For given R it increases in going from Co to Ir reflecting the spatial extension of the 3d, 4d and 5d orbitals. The observed trends are in good agreement with calculated d−f hybridization matrix elements and, consequently, d−f hybridization is governed by the spatial overlap of the respective orbitals.