Resonant x-ray scattering study of magnetic and orbital order in KCuF3

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Caciuffo, R. and Paolasini, L. and Sollier, A. and Ghigna, P. and Pavarini, E. and Brink, J. van den and Altarelli, M. (2002) Resonant x-ray scattering study of magnetic and orbital order in KCuF3. Physical Review B: Condensed matter and materials physics, 65 (17). p. 174425. ISSN 1098-0121

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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.
Item Type:Article
Copyright:© 2002 The American Physical Society
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Link to this item:http://purl.utwente.nl/publications/37932
Official URL:http://dx.doi.org/10.1103/PhysRevB.65.174425
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