Abstract
We present the results of resonant x-ray scattering experiments on KCuF3. Structurally forbidden reflections, corresponding to magnetic and 3d-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 KCuF3 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.
Original language | Undefined |
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Pages (from-to) | 174425/1-174425/9 |
Number of pages | 9 |
Journal | Physical review B: Condensed matter and materials physics |
Volume | 65 |
Issue number | 17 |
DOIs | |
Publication status | Published - 2002 |
Keywords
- IR-37932
- METIS-205993