Vibronic excitations in resonant inelastic x-ray scattering spectra of K${}_2$RuCl${}_6$

Abstract

We present the fingerprints of dynamic Jahn-Teller effect in resonant inelastic x-ray scattering (RIXS) spectra of K${}_2$RuCl${}_6$. We determined the dynamic Jahn-Teller model Hamiltonian of an embedded Ru${}^{4+}$ ion using post Hartree-Fock methods, and derived the vibronic states by numerically diagonalizing the Hamiltonian. With the obtained vibronic states, we reproduced the RIXS spectra. The shape and the temperature dependence of the RIXS spectrum agree well with the experimental data. We found that some peaks emerge due to the dynamic Jahn-Teller effect rather than the crystal field splitting. Our study indicates the significance of the Jahn-Teller coupling to adequately interpret RIXS spectra.

arXiv comment11 pages, 5 figures, 1 table

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• Spin-orbit-lattice entangled state in A${}_2$MgReO${}_6$ (A = Ca, Sr, Ba) revealed by resonant inelastic X-ray scattering
• Electronic excitations in $5d^4$ J=0 Os${}^{4+}$ halides studied by RIXS and optical spectroscopy
• Vibronic effect on resonant inelastic x-ray scattering in cubic iridium hexahalides
• Spin-orbital-lattice entanglement in the ideal j=1/2 compound K${}_2$IrCl${}_6$
• Dynamic Jahn-Teller Phenomena in Heavy Transition Metal Compounds
• Rotational phase transitions in antifluorite-type osmate and iridate compounds