Beyond the single-site approximation modeling of electron-phonon coupling effects on resonant inelastic X-ray scattering spectra

Abstract

Resonant inelastic X-ray scattering (RIXS) is used increasingly for characterizing low-energy collective excitations in materials. RIXS is a powerful probe, which often requires sophisticated theoretical descriptions to interpret the data. In particular, the need for accurate theories describing the influence of electron-phonon ($e$-p) coupling on RIXS spectra is becoming timely, as instrument resolution improves and this energy regime is rapidly becoming accessible. To date, only rather exploratory theoretical work has been carried out for such problems. We begin to bridge this gap by proposing a versatile variational approximation for calculating RIXS spectra in weakly doped materials, for a variety of models with diverse $e$-p couplings. Here, we illustrate some of its potential by studying the role of electron mobility, which is completely neglected in the widely used local approximation based on Lang-Firsov theory. Assuming that the electron-phonon coupling is of the simplest, Holstein type, we discuss the regimes where the local approximation fails, and demonstrate that its improper use may grossly \textit{underestimate} the $e$-p coupling strength.

arXiv comment15 pages, 10 figures

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• Theory of electron-phonon interactions in extended correlated systems probed by resonant inelastic x-ray scattering
• Decoupling of Static and Dynamic Charge Correlations revealed by Uniaxial Strain in a Cuprate Superconductor
• The Generalized Green's function Cluster Expansion: A Python package for simulating polarons
• Persistence of small polarons into the superconducting phase of Ba${}_{1-x}$K${}_x$BiO${}_3$
• Measuring the ultrafast screening of $U$ in photo-excited charge-transfer insulators with time-resolved X-ray absorption spectroscopy
• Theory of dispersive optical phonons in resonant inelastic x-ray scattering experiments