Optimization methods and their use in low-energy electron-diffraction calculations

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Theory of Low-Energy Electron Diffraction

A method for calculating the intensities of diffracted waves in low energy electron diffraction by crystals is proposed. The elastic multiple scattering is fully taken into account. The cellular method of KOHN and ROSTOKER in the band theory of metals is applied to the integral equation of the scattering by two dimensional lattices, particularly by monatomic layers. The solution is expanded in ...

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A Low Energy Electron Diffraction Study of Surface Structures

From the low-energy electron diffraction (LEED) analysis of the (110) surface of palladium we have determined an oscillatory relaxation with respect to the bulk interlayer spacing in the two topmost layers. We used R-factors for quantitative comparison of theoretical I-V curves with the experimental data. The oscillatory relaxation of the surface Pd(110) d12 = (1.33 ± 0.05) Å, d23 = (1.44 ± 0.0...

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Low-Energy Electron Diffraction Amplitudes for a "Bare-Substrate" Model

A theory of low-energy electron dif fraction (LEED) amplitudes is developed for a model in which the crystal surface is represented by a step-function termination of the bulk crystal potential ("bare-substrate" mode l ) . The crystal is considered to be centro-symmetric and it is assumed that either the crystal has a two-fold axis of rotation normal to the surface or the primay beam is normally...

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ژورنال

عنوان ژورنال: Physical Review B

سال: 1992

ISSN: 0163-1829,1095-3795

DOI: 10.1103/physrevb.46.15438