A cluster calculation for Cu(111), Ag(111), and Au(111) shows that the lateral Fourier transform of the charge deformation due to a displacement of a single surface atom is a Gaussian exp(-Q2 / 2Qc2). This is proportional to the scattering amplitude for one-phonon exchange atom-surface scattering and produces a cutoff in the cross section. The values of Qc are evaluated for the above-mentioned surfaces, explaining very well the experimental observations. We also find a simple formula that should be useful to experimentalists in calculating the cutoff.
Calculation of potential cut-off for one-phonon atom-surface scattering / Bortolani, Virginio; Franchini, Anna; Garcia, N.; Nizzoli, F.; Santoro, Giorgio. - In: PHYSICAL REVIEW. B, CONDENSED MATTER. - ISSN 0163-1829. - STAMPA. - 28:(1983), pp. 7358-7361. [10.1103/PhysRevB.28.7358]
Calculation of potential cut-off for one-phonon atom-surface scattering
BORTOLANI, Virginio;FRANCHINI, Anna;SANTORO, Giorgio
1983-01-01
Abstract
A cluster calculation for Cu(111), Ag(111), and Au(111) shows that the lateral Fourier transform of the charge deformation due to a displacement of a single surface atom is a Gaussian exp(-Q2 / 2Qc2). This is proportional to the scattering amplitude for one-phonon exchange atom-surface scattering and produces a cutoff in the cross section. The values of Qc are evaluated for the above-mentioned surfaces, explaining very well the experimental observations. We also find a simple formula that should be useful to experimentalists in calculating the cutoff.
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