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- W2030831454 abstract "First principles dynamical calculations are presented for the diffraction of low energy electrons at clean copper (100) surface under normal incidence. The method adopted in these calculations is the band structure and Pseudopotential formalism with the KKR-Z pseudopotential. The scattering properties of the individual atoms in the lattice are evaluated in the muffin-tin approximation for the periodic potential and inelastic scattering is taken into account by an uniform imaginary potential. The results are carefully compared to the experimental data of Andersson in a wide energy range from 0 to 140 e V and for the three main diffracted beams. The comparison shows a very good overall agreement between theory and experiment. In this way, it is shown that the prominent features of the reflectivity curves are of dynamical nature and originate in the very large atomic scattering on the lattice. In particular, the large peak widths observed experimentally are mainly accounted for by multiple elastic scattering. However, in obtaining a good agreement on the shapes and relative intensities of the peaks in the reflectivity curves, the inclusion of inelastic scattering is found essential. Furthermore, the absolute intensities are also in good agreement with the experimental data taken at room temperature when thermal vibration of the surface atoms are taken into consideration. It is concluded that a proper account of multiple scattering on the lattice is of central importance to explain the experimental results and that the present dynamical theory is an appropriate basis of description." @default.
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- W2030831454 date "1971-07-01" @default.
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- W2030831454 title "Dynamical calculations of LEED intensities at clean copper (001) surface" @default.
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- W2030831454 doi "https://doi.org/10.1016/0039-6028(71)90006-9" @default.
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