Communication: Semiclassical perturbation theory for the quantum diffractive scattering of atoms on thermal surfaces

Daon, Shauli; Pollak, Eli; Miret‐Artés, Salvador

doi:10.1063/1.4768227

Cited by 11 publications

(9 citation statements)

References 15 publications

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“…24,25 The semiclassical initial value representation used in Ref. 24 is based on the first order perturbation theory solution of the classical equations of motion.…”

Section: Discussionmentioning

confidence: 99%

“…Finally, we note that the first order perturbation theory has been used extensively within a semiclassical context [23,24]. It should be of interest to see whether the present second order perturbation theory can be employed semiclassically, so that also the resulting semiclassical diffraction patterns will exhibit the correct asymmetry.…”

Section: Numerical Examplesmentioning

confidence: 93%

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Second order classical perturbation theory for atom surface scattering: Analysis of asymmetry in the angular distribution

Zhou

Pollak

Miret‐Artés

2014

The Journal of Chemical Physics

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A second order classical perturbation theory is developed and applied to elastic atom corrugated surface scattering. The resulting theory accounts for experimentally observed asymmetry in the final angular distributions. These include qualitative features, such as reduction of the asymmetry in the intensity of the rainbow peaks with increased incidence energy as well as the asymmetry in the location of the rainbow peaks with respect to the specular scattering angle. The theory is especially applicable to "soft" corrugated potentials. Expressions for the angular distribution are derived for the exponential repulsive and Morse potential models. The theory is implemented numerically to a simplified model of the scattering of an Ar atom from a LiF(100) surface.

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“…24,25 The semiclassical initial value representation used in Ref. 24 is based on the first order perturbation theory solution of the classical equations of motion.…”

Section: Discussionmentioning

confidence: 99%

Section: Numerical Examplesmentioning

confidence: 93%

Second order classical perturbation theory for atom surface scattering: Analysis of asymmetry in the angular distribution

Zhou

Pollak

Miret‐Artés

2014

The Journal of Chemical Physics

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“…Since we are dealing with comparatively small parallel momentum transfers (8 meV beam) in the presented HAS experiments, equation 5 can be considered to be approximately correct 32,40 and will form the basis for the following analysis. However, it should be noted that ( 5) is not generally valid for atom-surface scattering [41][42][43] and corrections regarding the surface phonon spectrum 44 and the presence of the attractive atom-surface interaction might be necessary for other kinematic conditions. The influence of the attractive part of the atom-surface potential upon scattering can be considered by the Beeby correction 45 .…”

Section: Surface Debye Temperature Of Bi2te3(111)mentioning

confidence: 99%

Electron-phonon coupling and surface Debye temperature of Bi2Te3 (111) from helium atom scattering

et al. 2017

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We have studied the topological insulator Bi2Te3(111) by means of helium atom scattering. The average electron-phonon coupling λ of Bi2Te3(111) is determined by adapting a recently developed quantum-theoretical derivation of the helium scattering probabilities to the case of degenerate semiconductors. Based on the Debye-Waller attenuation of the elastic diffraction peaks of Bi2Te3 (111), measured at surface temperatures between 110 K and 355 K, we find λ to be in the range of 0.04 − 0.11. This method allows to extract a correctly averaged λ and to address the discrepancy between previous studies. The relatively modest value of λ is not surprising even though some individual phonons may provide a larger electron-phonon interaction. Furthermore, the surface Debye temperature of Bi2Te3(111) is determined as ΘD = (81 ± 6) K. The electronic surface corrugation was analysed based on close-coupling calculations. By using a corrugated Morse potential a peak-to-peak corrugation of 9% of the lattice constant is obtained.

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“…The strong coupling is manifested in the relatively small fraction of the scattering that is in elastic channels and in symmetry-breaking effects such as the excitation of shear horizontal (SH) phonons for scattering near high-symmetry directions of a monolayer solid [5]. The applicability of the traditional Debye-Waller formulation of attenuation of elastic (diffraction) intensities by inelastic processes is rather limited [20] for a low energy atom probe, and for heavy inert gas atoms there has been major recent development of the theory [21,22]. The intensity of one-phonon creation events may even increase with temperature, contrary to the simple language of Debye-Waller attenuation [23].…”

Section: Helium Scattering By Inert Gas Monolayersmentioning

confidence: 99%

Unified quantum theory of elastic and inelastic atomic scattering from a physisorbed monolayer solid

Bruch

Hansen

Dammann³

2017

Phys. Rev. B

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. Unified quantum theory of elastic and inelastic atomic scattering from a physisorbed monolayer solid. Physical Review B, 95(21), [214303]. DOI: 10.1103/PhysRevB.95.214303 PHYSICAL REVIEW B 95, 214303 (2017 Unified quantum theory of elastic and inelastic atomic scattering from a physisorbed monolayer solid A unified quantum theory of the elastic and inelastic scattering of low energy He atoms by a physisorbed monolayer solid in the one-phonon approximation is given. It uses a time-dependent wave packet with phonon creation and annihilation components and has a self-consistent feedback between the wave functions for elastic and inelastic scattered atoms. An attenuation of diffraction scattering by inelastic processes thus is inherent in the theory. The atomic motion and monolayer vibrations in the harmonic approximation are treated quantum mechanically and unitarity is preserved. The evaluation of specific one-phonon events includes contributions from diffuse inelastic scattering in other phonon modes. Effects of thermally excited phonons are included using a mean field approximation. The theory is applied to an incommensurate Xe/Pt(111) monolayer (incident energy E i = 4-16 meV), a commensurate Xe/graphite monolayer (E i 64 meV), and an incommensurate Xe/Cu(001) monolayer (E i 8 meV). The monolayers are very corrugated targets and there are transient closed diffraction and inelastic channels in the calculations. In many cases, the energy gain events have strengths comparable to the energy loss events.

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Communication: Semiclassical perturbation theory for the quantum diffractive scattering of atoms on thermal surfaces

Cited by 11 publications

References 15 publications

Second order classical perturbation theory for atom surface scattering: Analysis of asymmetry in the angular distribution

Second order classical perturbation theory for atom surface scattering: Analysis of asymmetry in the angular distribution

Electron-phonon coupling and surface Debye temperature of Bi2Te3 (111) from helium atom scattering

Unified quantum theory of elastic and inelastic atomic scattering from a physisorbed monolayer solid

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