Resonant X-Ray Raman Spectra of Cu dd Excitations in Sr2CuO2Cl2

Abstract

We present resonant x-ray Raman scattering results on Sr2CuO2Cl2, a model compound for high-Tc superconductors. We demonstrate that the dd excitations can be observed and show that the polarization dependence can be used to identify the dd excitations. We find the transition from the dx²-y² ground state to the dxy excited state at 1.35 eV and to the degenerate dxz and dyz excited states at 1.7 eV. From analysis of the polarization dependence we conclude that the d3z²-r² orbital energy is at 1.5 eV and not in the midinfrared (0.5 eV) as recently suggested. We use recent theoretical arguments to show that the d3z22r2 excitation is accompanied by a local spin flip resulting in a shift upwards of 0.2 eV due to the exchange interaction with the neighboring spins.