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Resonant X-ray scattering in KCuF$$_{3}$$

Takahashi, Manabu*; Igarashi, Junichi

We study the resonant X-ray scattering (RXS) spectra around the Cu K edge in KCuF$$_{3}$$ on the basis of the band structure calculation combined with the LDA+U approximation. The lattice distortion is introduced as inputs of the calculation. We reproduce well the experimental spectra as a function of photon energy around the main--K--edge (MKE). The spectral structure around the MKE is independent of the magnetic order (MO) and the orbital order (OO) but strongly dependent on the magnitude of the Jahn--Teller distortion (JTD).



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Category:Physics, Condensed Matter



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