Theoretical Aspects of Atom-Surface Scattering

Manson, J. R.

doi:10.1007/978-3-662-02774-5_8

Cited by 11 publications

(10 citation statements)

References 101 publications

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“…Assuming that the V mn (z) terms are small, and using the scattering-theory approach based on the Lippmann-Schwinger equation, the probability of (m,0) diffraction with reciprocal-lattice-vector exchange along the fast-motion direction is given by [36] …”

Section: B Transition Matrix Elements In Fadmentioning

confidence: 99%

Transition from fast to slow atom diffraction

Zugarramurdi

Borisov

2012

Phys. Rev. A

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For energetic atomic beams grazingly incident at a surface along low-index directions, the fast motion of the projectile in the surface plane and the slow motion in the direction perpendicular to the surface appear nearly decoupled. Fast-atom diffraction (FAD) experiments reveal two-dimensional (2D) diffraction patterns associated with exchange of the reciprocal vector perpendicular to the low-index direction of fast motion. These results are usually interpreted within the axial-channeling approximation, where the effective 2D potential experienced by the projectile is set as an average of the 3D surface potential along the atomic strings forming the channel. In this work, using the example of grazing scattering of He atoms at a LiF(001) surface, we address theoretically the range of validity of the axial-channeling approximation. Full quantum wave-packet-propagation calculations are used to study the transition from the 2D (fast atom) to the 3D diffraction pattern characteristic for low-energy atomic and molecular projectiles scattered from surfaces. Along with exact calculations, a semianalytical perturbative treatment based on the Lippmann-Schwinger equation allows an explanation of why the diffraction processes involving the exchange of reciprocal-lattice vectors along the fast-motion direction are exponentially small in typical FAD conditions.

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Section: B Transition Matrix Elements In Fadmentioning

confidence: 99%

Transition from fast to slow atom diffraction

Zugarramurdi

Borisov

2012

Phys. Rev. A

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“…To obtain further insights into the interaction of Ne with the LiF(001) surface, we have extracted the intensity of all diffraction orders as illustrated in Figure b and performed a dynamical diffraction theory study within the ASCA approximation. With a relevant period along the y -axis, , the wave function of the Ne projectile is sought in the form of , leading to the set of close-coupling equations for diffraction orders j . …”

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confidence: 99%

Refraction of Fast Ne Atoms in the Attractive Well of a LiF(001) Surface

Debiossac

Roncin

Borisov

2020

J. Phys. Chem. Lett.

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Ne atoms with energies of ≤3 keV are diffracted under grazing angles of incidence from a LiF(001) surface. For a small momentum component of the incident beam perpendicular to the surface, we observe an increase in the elastic rainbow angle together with a broadening of the inelastic scattering profile. We interpret these two effects as the refraction of the atomic wave in the attractive part of the surface potential. We use a fast, rigorous dynamical diffraction calculation to find a projectile–surface potential model that enables a quantitative reproduction of the experimental data for ≤10 diffraction orders. This allows us to extract an attractive potential well depth of 10.4 meV. Our results set a benchmark for more refined surface potential models that include the weak van der Waals region, a long-standing challenge in the study of atom–surface interactions.

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“…We have noted that the approximate formula ( 27) is an anharmonic Debye-Waller (DW) factor, which conventionally describes the reduction in elastic scattered intensity at the Bragg conditions when a scattering probe diffracts from a solid 52 or with caveats a solid surface 54 which may be clean or adsorbate-covered 55 . The expression (30) for the nonzero static level of the single-particle ISF at the diffraction conditions e i∆Ka = 1, is associated with an elastic contribution to the dynamical structure factor S(∆K, ∆ω), the Fourier transform of I(∆K, t) from the time to the frequency domain.…”

Section: Interpretation As a Debye-waller Factormentioning

confidence: 99%

Amplitude of jump motion signatures in classical vibration-jump dynamics

Townsend

Ellis

2018

The Journal of Chemical Physics

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The classical Langevin dynamics of a particle in a periodic potential energy landscape are studied via the intermediate scattering function (ISF). By construction, the particle performs coupled vibrational and activated jump motion with a wide separation of the vibrational period and the mean residence time between jumps.The long time limit of the ISF is a decaying tail proportional to the function that describes ideal jump motion in the absence of vibrations. The amplitude of the tail is unity in idealized jump dynamics models, but is reduced from unity by the intrawell motion. Analytical estimates of the amplitude of the jump motion signature are provided by assuming a factorization of the conditional probability density of the particle position at long times, motivated by the separation of time scales associated with inter-cell and intra-cell motion. The assumption leads to a factorization of the ISF at long correlation times, where one factor is an ideal jump motion signature, and the other component is the amplitude of the signature. The amplitude takes the form of a single-particle anharmonic Debye-Waller factor. The factorization approximation is exact at the diffraction conditions associated with the periodic potential. Numerical simulations of the Langevin equation in one and two spatial dimensions confirm that for a strongly corrugated potential the analytical approximation provides a good qualitative description of the trend in the jump signature amplitude, between the points where the factorization is exact. Published full-text https://doi.

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Theoretical Aspects of Atom-Surface Scattering

Cited by 11 publications

References 101 publications

Transition from fast to slow atom diffraction

Transition from fast to slow atom diffraction

Refraction of Fast Ne Atoms in the Attractive Well of a LiF(001) Surface

Amplitude of jump motion signatures in classical vibration-jump dynamics

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