skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Title: Data files for "Theory of electron-phonon interactions in extended correlated systems probed by resonant inelastic x-ray scattering" by J. Thomas et al.
This repo contains the data files for the paper J. Thomas et al., Theory of electron-phonon interactions in extended correlated systems probed by resonant inelastic x-ray scattering. Physical Review X, in press (2025) Preprint: https://arxiv.org/abs/2412.12995 Abstract: An emerging application of resonant inelastic x-ray scattering (RIXS) is the study of lattice excitations and electron-phonon (e-ph) interactions in quantum materials. Despite the growing importance of this area of research, the community lacks a complete understanding of how the RIXS process excites the lattice and how these excitations encode information about the e-ph interactions. Here, we present a detailed study of the RIXS spectra of the Hubbard-Holstein model defined on extended one-dimensional lattices. Using the density matrix renormalization group (DMRG) method, we compute the RIXS response while treating the electron mobility, many-body interactions, and core-hole interactions on an equal footing. The predicted spectra exhibit notable differences from those obtained using the commonly adopted Lang-Firsov models, with important implications for analyzing past and future experiments. Our results provide a deeper understanding of how RIXS probes e-ph interactions and set the stage for a more realistic analysis of future experiments.  more » « less
Award ID(s):
2401388
PAR ID:
10599771
Author(s) / Creator(s):
; ; ; ; ; ; ;
Publisher / Repository:
Zenodo
Date Published:
Format(s):
Medium: X
Right(s):
Creative Commons Attribution 4.0 International
Sponsoring Org:
National Science Foundation
More Like this
  1. An emerging application of resonant inelastic x-ray scattering (RIXS) is the study of lattice excitations and electron-phonon ( e -ph) interactions in quantum materials. Despite the growing importance of this area of research, the community lacks a complete understanding of how the RIXS process excites the lattice and how these excitations encode information about the e -ph interactions. Here, we present a detailed study of the RIXS spectra of the Hubbard-Holstein model defined on extended one-dimensional lattices. Using the density matrix renormalization group method, we compute the RIXS response while treating the electron mobility, many-body interactions, and core-hole interactions on an equal footing. The predicted spectra exhibit notable differences from those obtained using the commonly adopted Lang-Firsov models, with important implications for analyzing past and future experiments. Our results provide a deeper understanding of how RIXS probes e -ph interactions and set the stage for a more realistic analysis of future experiments. Published by the American Physical Society2025 
    more » « less
  2. null (Ed.)
    Resonant inelastic X-ray scattering (RIXS) is used increasingly for characterizing low-energy collective excitations inmaterials. RIXS is a powerful probe, which often requiressophisticated theoretical descriptions to interpret the data. Inparticular, 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 beencarried out for such problems. We begin to bridge this gap byproposing 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 e-p coupling is of the simplest, Holstein type, we discuss the regimes where the local approximation fails, and demonstrate that its improper use may grossly underestimate the e-p coupling strength. 
    more » « less
  3. Understanding quantum materials—solids in which interactions among constituent electrons yield a great variety of novel emergent quantum phenomena—is a forefront challenge in modern condensed matter physics. This goal has driven the invention and refinement of several experimental methods, which can spectroscopically determine the elementary excitations and correlation functions that determine material properties. Here we focus on the future experimental and theoretical trends of resonant inelastic x-ray scattering (RIXS), which is a remarkably versatile and rapidly growing technique for probing different charge, lattice, spin, and orbital excitations in quantum materials. We provide a forward-looking introduction to RIXS and outline how this technique is poised to deepen our insight into the nature of quantum materials and of their emergent electronic phenomena. Published by the American Physical Society2024 
    more » « less
  4. Abstract We studied the magnetic excitations in the quasi-one-dimensional (q-1D) ladder subsystem of Sr 14−x Ca x Cu 24 O 41 (SCCO) using Cu L 3 -edge resonant inelastic X-ray scattering (RIXS). By comparing momentum-resolved RIXS spectra with high ( x  = 12.2) and without ( x  = 0) Ca content, we track the evolution of the magnetic excitations from collective two-triplon (2 T) excitations ( x  = 0) to weakly-dispersive gapped modes at an energy of 280 meV ( x  = 12.2). Density matrix renormalization group (DMRG) calculations of the RIXS response in the doped ladders suggest that the flat magnetic dispersion and damped excitation profile observed at x  = 12.2 originates from enhanced hole localization. This interpretation is supported by polarization-dependent RIXS measurements, where we disentangle the spin-conserving Δ S  = 0 scattering from the predominant Δ S  = 1 spin-flip signal in the RIXS spectra. The results show that the low-energy weight in the Δ S  = 0 channel is depleted when Sr is replaced by Ca, consistent with a reduced carrier mobility. Our results demonstrate that off-ladder impurities can affect both the low-energy magnetic excitations and superconducting correlations in the CuO 4 plaquettes. Finally, our study characterizes the magnetic and charge fluctuations in the phase from which superconductivity emerges in SCCO at elevated pressures. 
    more » « less
  5. Charge-density waves (CDWs) are a ubiquitous form of electron density modulation in cuprate superconductors. Unveiling the nature of quasistatic CDWs and their dynamical excitations is crucial for understanding their origin––similar to the study of antiferromagnetism in cuprates. However, dynamical CDW excitations remain largely unexplored due to the limited availability of suitable experimental probes. Here, using resonant inelastic X-ray scattering, we observe dynamical CDW excitations in Bi2Sr2LaCuO6+δ (Bi2201) superconductors through its interference with the lattice. The distinct anomalies of the bond-buckling and the bond-stretching phonons allow us to draw a clear picture of funnel-shaped dynamical CDW excitations in Bi2201. Our results of the interplay between CDWs and the phonon anomalies shed light on the nature of CDWs in cuprates. 
    more » « less