We have studied the electronic structure of Sr2RuO4 and Ca2RuO4 using x-ray photoemission spectroscopy (XPS) and subsequent model calculations. While the t2g band of Sr 2RuO4 has substantial spectral weight at the Fermi level, that of Ca2RuO4 has no spectral weight at EF and shows a peak at -1.8 eV. In the valence-band XPS spectrum of Sr 2RuO4, a satellite structure of the t2g band is observed. In order to explain the spectral features, we have carried out band-structure calculations using the unrestricted Hartree-Fock (HF) approximation and found good agreement with the experimental result for Ca 2RuO4. In order to explain the satellite structure of Sr2RuO4, we have performed second-order perturbation calculations of the self-energy corrections around the unrestricted HF solution of Sr2RuO4.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 2004 Oct 1|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics