Vibronic excitations in resonant inelastic x-ray scattering spectra of K2RuCl6
Abstract
We present the fingerprints of dynamic Jahn-Teller effect in resonant inelastic x-ray scattering (RIXS) spectra of K2RuCl6. We determined the dynamic Jahn-Teller model Hamiltonian of an embedded Ru4+ 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.
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