Generalization of the Franck-Condon model for phonon excitations by resonant inelastic x-ray scattering

Geondzhian, Andrey; Gilmore, Keith

doi:10.1103/physrevb.101.214307

Cited by 18 publications

(20 citation statements)

References 37 publications

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“…As suggested by refs. 20 , 21 , 23 , 37 , 38 , the phonon intensity measured by RIXS is scaled to M 2 , where M is the EPC matrix element. A simple comparison of phonon intensities between UD23 and OD30 ( Fig.…”

Section: Resultsmentioning

confidence: 99%

Multiorbital charge-density wave excitations and concomitant phonon anomalies in Bi ₂ Sr ₂ LaCuO _6+δ

Nag

Pelliciari

et al. 2020

Proc. Natl. Acad. Sci. U.S.A.

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Charge-density waves (CDWs) are ubiquitous in underdoped cuprate superconductors. As a modulation of the valence electron density, CDWs in hole-doped cuprates possess both Cu-3dand O-2porbital character owing to the strong hybridization of these orbitals near the Fermi level. Here, we investigate underdoped Bi2Sr1.4La0.6CuO6+δusing resonant inelastic X-ray scattering (RIXS) and find that a short-range CDW exists at both Cu and O sublattices in the copper-oxide (CuO2) planes with a comparable periodicity and correlation length. Furthermore, we uncover bond-stretching and bond-buckling phonon anomalies concomitant to the CDWs. Comparing to slightly overdoped Bi2Sr1.8La0.2CuO6+δ, where neither CDWs nor phonon anomalies appear, we highlight that a sharp intensity anomaly is induced in the proximity of the CDW wavevector (QCDW) for the bond-buckling phonon, in concert with the diffused intensity enhancement of the bond-stretching phonon at wavevectors much greater than QCDW. Our results provide a comprehensive picture of the quasistatic CDWs, their dispersive excitations, and associated electron-phonon anomalies, which are key for understanding the competing electronic instabilities in cuprates.

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Section: Resultsmentioning

confidence: 99%

Multiorbital charge-density wave excitations and concomitant phonon anomalies in Bi ₂ Sr ₂ LaCuO _6+δ

Nag

Pelliciari

et al. 2020

Proc. Natl. Acad. Sci. U.S.A.

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“…1,63,64 Furthermore, a growing effort is being devoted to the development of RIXS as a technique to study vibrational excitations and dynamics in molecules, 2,59,65,66 liquids and solutions, 10,67,68 as well as in solids. 11,69 Therefore, it is important to discuss how nuclear dynamics effects can be incorporated into the framework discussed in the previous sections. This will be done by revisiting the high-resolution RIXS spectra of gas-phase H 2 O, 2 molecular Oxygen 66 and liquid acetone.…”

Section: The Role Of Core-excited Nuclear Dynamicsmentioning

confidence: 99%

TD-DFT simulations of K-edge resonant inelastic X-ray scattering within the restricted subspace approximation

Cruz

Eckert

Föhlisch

2021

Phys. Chem. Chem. Phys.

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“…As such, its predictions cannot be directly compared against analyses based on the single-site model, which generally revolve around multi-phonon processes. Finally, Geondzhian and Gilmore [18] have shown that even within the single-site approximation, either adding coupling to a second phonon mode and/or allowing for a different phonon frequency in the intermediate state considerably affect the quantitative interpretation of the RIXS spectra.…”

Section: Introductionmentioning

confidence: 99%

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

2021

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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 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.

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Generalization of the Franck-Condon model for phonon excitations by resonant inelastic x-ray scattering

Cited by 18 publications

References 37 publications

Multiorbital charge-density wave excitations and concomitant phonon anomalies in Bi ₂ Sr ₂ LaCuO _6+δ

Multiorbital charge-density wave excitations and concomitant phonon anomalies in Bi ₂ Sr ₂ LaCuO _6+δ

TD-DFT simulations of K-edge resonant inelastic X-ray scattering within the restricted subspace approximation

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

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Generalization of the Franck-Condon model for phonon excitations by resonant inelastic x-ray scattering

Cited by 18 publications

References 37 publications

Multiorbital charge-density wave excitations and concomitant phonon anomalies in Bi 2 Sr 2 LaCuO 6+δ

Multiorbital charge-density wave excitations and concomitant phonon anomalies in Bi 2 Sr 2 LaCuO 6+δ

TD-DFT simulations of K-edge resonant inelastic X-ray scattering within the restricted subspace approximation

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

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Product

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Multiorbital charge-density wave excitations and concomitant phonon anomalies in Bi ₂ Sr ₂ LaCuO _6+δ

Multiorbital charge-density wave excitations and concomitant phonon anomalies in Bi ₂ Sr ₂ LaCuO _6+δ