Hybridization and electron-phonon coupling in ferroelectric<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>BaTiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>probed by resonant inelastic x-ray scattering

Fatale, Sara; Moser, Simon; Miyawaki, Jun; Harada, Yoshihisa; Grioni, M.

doi:10.1103/physrevb.94.195131

Cited by 26 publications

(30 citation statements)

References 27 publications

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“…The lineshape of the LEL features in RIXS data has been understood quantitatively in terms of phonon excitations, induced in the RIXS process by strong e-ph coupling with a coupling energy M. [42][43][44][51][52][53] The LEL features can be modeled as being constituted by multiple Einstein phonon peaks (overtones) with energies of n times hν 0,ph (n: 1,2,3, …) and a constant lifetime Γ. To account for the e-ph coupling effects in the LEL feature, we employed 4 phonon peaks with hν 0,ph = 95 meV (A 2u phonon in D 4h notation, representatively) and Γ = 375 meV as in a recent report on bulk anatase [42] while keeping the intensity ratios of I n+1 /I n as a constant parameter within each sample.…”

Section: (5 Of 9)mentioning

confidence: 99%

Interface Carriers and Enhanced Electron‐Phonon Coupling Effect in Al₂O₃/TiO₂ Heterostructure Revealed by Resonant Inelastic Soft X‐Ray Scattering

Shao

Kuo

Feng

et al. 2021

Adv Funct Materials

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The electronic structure and the electron-phonon couplings in a novel massproduction-compatible Al 2 O 3 /TiO 2 2D electron system (2DES) are investigated using resonant inelastic soft X-ray scattering. The experimental data from the samples of various TiO 2 thicknesses unequivocally show that the Ti 3+ state indeed exists at the deep interface to serve as an n-type dopant for the 2DES. The electronic structure of Ti 3+ species is scrutinized as entirely separated from that of the Ti 4+ host lattice. Furthermore, features of sub-eV energy loss phonon modes are clearly observed, indicating substantial electron-phonon coupling effects. Such low energy loss features are enhanced in thinner TiO 2 samples, implying that polaronic local lattice deformation is enhanced due to the presence of Ti 3+ . These findings suggest that the 2DES properties can be controlled via well-established TiO 2 engineering, thereby enthroning the binary oxide heterostructure as a promising candidate for 2DES device applications.

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Section: (5 Of 9)mentioning

confidence: 99%

Interface Carriers and Enhanced Electron‐Phonon Coupling Effect in Al₂O₃/TiO₂ Heterostructure Revealed by Resonant Inelastic Soft X‐Ray Scattering

Shao

Kuo

Feng

et al. 2021

Adv Funct Materials

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“…Fitting experimental data with this series by tuning g yields a value for the electron-phonon coupling constant. This and closely related approaches have been used to quantify the electron-phonon coupling strength in titanates and 1D cuprates [38][39][40][41], and have influenced the conceptual understanding of vibronic effects in RIXS [21,42].…”

Section: Rixs As a Probe Of Exciton-phonon Couplingmentioning

confidence: 99%

Demonstration of resonant inelastic x-ray scattering as a probe of exciton-phonon coupling

Geondzhian

Gilmore

2018

Phys. Rev. B

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Resonant inelastic X-ray scattering (RIXS) is a promising technique for obtaining electron-phonon coupling constants. However, the ability to extract these coupling constants throughout the Brillouin zone for crystalline materials remains limited. To address this need, we developed a Green's function formalism to capture electron-phonon contributions to core-level spectroscopies without explicitly solving the full vibronic problem. Our approach is based on the cumulant expansion of the Green's function combined with many-body theory calculated vibrational coupling constants. The methodology is applied to X-ray photoemission spectroscopy, X-ray absorption spectroscopy (XAS), and RIXS. In the case of the XAS and RIXS, we use a 2-particle exciton Green's function, which accounts implicitly for particle-hole interference effects that have previously proved difficult. To demonstrate the methodology and gain a deeper understanding of the experimental technique, we apply our formalism to small molecules, for which unambiguous experimental data exist. This comparison reveals that the vibronic coupling constant probed by RIXS is in fact related to excitonphonon coupling rather than electron-phonon coupling, challenging the conventional interpretation of the experiment.

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“…Resonant inelastic X-ray scattering [1] is being increasingly used to study electron-phonon (e-p) interactions in quantum materials [2][3][4][5][6][7][8][9][10][11][12][13]. This application is facilitated by improvements in both experimental resolution [1,14] and in our understanding of how the scattering process generates lattice excitations [3-5, 8, 15-17].…”

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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Hybridization and electron-phonon coupling in ferroelectricBaTiO3probed by resonant inelastic x-ray scattering

Cited by 26 publications

References 27 publications

Interface Carriers and Enhanced Electron‐Phonon Coupling Effect in Al₂O₃/TiO₂ Heterostructure Revealed by Resonant Inelastic Soft X‐Ray Scattering

Interface Carriers and Enhanced Electron‐Phonon Coupling Effect in Al₂O₃/TiO₂ Heterostructure Revealed by Resonant Inelastic Soft X‐Ray Scattering

Demonstration of resonant inelastic x-ray scattering as a probe of exciton-phonon coupling

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

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Hybridization and electron-phonon coupling in ferroelectricBaTiO3probed by resonant inelastic x-ray scattering

Cited by 26 publications

References 27 publications

Interface Carriers and Enhanced Electron‐Phonon Coupling Effect in Al2O3/TiO2 Heterostructure Revealed by Resonant Inelastic Soft X‐Ray Scattering

Interface Carriers and Enhanced Electron‐Phonon Coupling Effect in Al2O3/TiO2 Heterostructure Revealed by Resonant Inelastic Soft X‐Ray Scattering

Demonstration of resonant inelastic x-ray scattering as a probe of exciton-phonon coupling

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

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Interface Carriers and Enhanced Electron‐Phonon Coupling Effect in Al₂O₃/TiO₂ Heterostructure Revealed by Resonant Inelastic Soft X‐Ray Scattering

Interface Carriers and Enhanced Electron‐Phonon Coupling Effect in Al₂O₃/TiO₂ Heterostructure Revealed by Resonant Inelastic Soft X‐Ray Scattering