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arXiv · 2305.05853

Vibronic effect on resonant inelastic x-ray scattering in cubic iridium hexahalides

Naoya Iwahara·Wataru Furukawa
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Abstract

In resonant inelastic x-ray scattering (RIXS) spectra of K$_2$IrCl$_6$, the peak for the $j=3/2$ multiplet states shows a splitting that resembles non-cubic crystal-field effect although the compound is cubic down to 0.3 K. Here we theoretically describe the RIXS spectra concomitantly treating the spin-orbit and vibronic interactions. We found that the dynamic Jahn-Teller effect in the $j=3/2$ multiplet states gives rise to the splitting of the RIXS spectra and the broadening of the spectra in raising the temperature. The validity of the interaction parameters for the simulations is supported by our {\it ab initio} calculations. Our results suggest that, in cubic iridium compounds, the dynamic Jahn-Teller effect induces the splitting of RIXS spectra without lowering the symmetry.

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Naoya Iwahara, Wataru Furukawa. 2023-05-10. Vibronic effect on resonant inelastic x-ray scattering in cubic iridium hexahalides. https://doi.org/10.1103/physrevb.108.075136

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