Resonant inelastic x-ray scattering at the oxygen K resonance of NiO: nonlocal charge transfer and double-singlet excitations

Phys Rev Lett. 2006 Feb 17;96(6):067402. doi: 10.1103/PhysRevLett.96.067402. Epub 2006 Feb 16.

Abstract

We report high-resolution polarization-dependent resonant inelastic x-ray scattering (RIXS) at the O K resonance of NiO showing a rich excitation spectrum. We perform multisite Ni6O19 cluster model calculations, revealing that solid state effects are substantial. We identify a nonlocal charge transfer excitation at 4-5 eV and double-singlet creation at 1.75 eV, both exhibiting significant scattering geometry dependence. Apart from an intense band of local charge transfer excitations (above 5 eV) also dd excitations at 1 eV are observed. Finally, we point out that O K RIXS of correlated metal oxides allows a quantitative and consistent determination of the charge transfer energy delta and the Hund coupling energy J(H).