Spin-resolved NEXAFS from resonant X-ray scattering (RXS)

Resonantly excited metal K core line spectra of NiO, MnO, CoO and other compounds have been investigated at the beamlines X21 (NSLS/BNL), BW1 and W1.1 (HASYLAB/DESY). From analysis of spectral data we have drawn the following conclusions: -spin conservation is valid in the scattering process, for excitations below the absorption threshold as well as above it, -the absorption thresholds are different for spin-up and spin-down components of resonantly scattered spectra, -quadrupole transitions are very important or even crucial in the excitation process. Provided that these conclusions are true, a novel technique for quantitative resolution of NEXAFS spectra into spin-up and spin-down components has been developed. Since the method employs spin conservation and local spin references, it needs no circularly polarized radiation and no sample magnetization for taking both the RXS and NEXAFS spectra. Hence antiferromagnetic and paramagnetic materials can be investigated as well. Utilizing linear dichroism by angular-dependent measurements on single-crystal samples additional resolution of NEXAFS spectra is possible with respect to the orbital symmetry. Application of the method to paramagnetic MnO, for the first time, provides new and unambiguous experimental results confirming modern (LSDA+U) calculations: The metal K pre-edge XAS of MnO has predominantly 3d(t2g and eg) spin-down character. On the other hand, the delocalized p-like states, arising from the p-d band effect hybridization have spin-up character.