Abstract
We present the results of resonant x-ray scattering experiments on Structurally forbidden reflections, corresponding to magnetic and -orbital long-range order, have been observed. Integrated intensities have been measured as a function of incident energy, polarization, azimuthal angle, and temperature. By means of ab initio local spin density approximation (LSDA) and local spin density approximation with on-site Coulomb interaction (LSDA+U) calculations we determine the electronic structure of and obtain the resonant x-ray scattering spectrum at the Cu K edge, which shows good agreement with the experimental data. Orbital and spin degrees of freedom are strongly coupled, and the temperature dependence of the intensity of orbital Bragg peaks reveals a correlation between magnetic and orbital order parameters.
- Received 24 January 2002
DOI:https://doi.org/10.1103/PhysRevB.65.174425
©2002 American Physical Society