Nonadiabatic effects in resonant inelastic x-ray scattering

Area of Science:

• Condensed matter physics
• Molecular spectroscopy
• Quantum chemistry

Background:

• Resonant inelastic x-ray scattering (RIXS) is a powerful technique for probing electronic and vibrational excitations in materials.
• Understanding the spectral features in RIXS is crucial for characterizing molecular systems.
• Condensed ethylene provides a model system for studying complex spectral behaviors.

Purpose of the Study:

• To experimentally and theoretically investigate the spectral features of resonant inelastic x-ray scattering (RIXS) in condensed ethylene.
• To differentiate between purely vibrational and coupled electronic-vibrational spectral loss features.
• To assess the applicability of the one-step theory for RIXS in polyatomic systems.

Main Methods:

• Experimental RIXS measurements on condensed ethylene.
• Theoretical calculations employing the one-step theory for RIXS.
• Inclusion of multiple vibrational modes and vibronic coupling in theoretical models.

Main Results:

• Observation of distinct purely vibrational spectral loss features in condensed ethylene.
• Identification of coupled electronic and vibrational loss features.
• Successful application of the one-step theory to model the observed spectral features, considering vibronic coupling.

Conclusions:

• The assignment of spectral features in RIXS of polyatomic systems is complex.
• Explicit description of coupled electronic and vibrational loss features is necessary for accurate spectral assignment in RIXS.
• This study highlights the importance of vibronic coupling in interpreting RIXS spectra of molecular systems.