Optical evidence for symmetry changes above the Neel temperature in KCuF3

Abstract

We report on optical measurements of the 1D Heisenberg antiferromagnet KCuF3. The crystal-field excitations of the Cu2+ ions have been observed and their temperature dependence can be understood in terms of magnetic and exchange-induced dipole mechanisms and vibronic interactions. Above T_N we observe a new temperature scale T_S characterized by the emergence of narrow absorption features that correlate with changes of the orbital ordering as observed by Paolasini et al. [Phys. Rev. Lett. 88, 106403 (2002)]. The appearance of these optical transitions provides evidence for a symmetry change above the Neel temperature that affects the orbital ordering and paves the way for the antiferromagnetic ordering.

4 pages, 2 figures

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• Ab initio calculation of resonant X-ray scattering in Manganites
• Crystal-field splitting for low symmetry systems in ab initio calculations
• Orbital ordering, Jahn-Teller distortion, and resonant x-ray scattering in KCuF3
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