Variation at the surface of mean correlated displacements in fcc transition and noble metals studied by a continued fraction technique

We calculate mean square and mean correlated displacements which are required for the determination of the Debye-Waller factors in LEED and SEXAFS experiments. The crystal model involves central and angular forces treated within the harmonic approximation. The phonon densities of states are obtained...

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Bibliographic Details
Published in:Surface science 1985-10, Vol.162 (1), p.126-131
Main Authors: Treglia, G, Desjonqueres, M-C
Format: Article
Language:English
Subjects:
Condensed Matter
Physics
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Summary:We calculate mean square and mean correlated displacements which are required for the determination of the Debye-Waller factors in LEED and SEXAFS experiments. The crystal model involves central and angular forces treated within the harmonic approximation. The phonon densities of states are obtained from a continued fraction method. Results concerning the mean square displacements are given for the three low index faces of fcc metals: some general trends, in agreement with experiments, are put forward. Finally, preliminary results on the mean correlated displacements between first neighbours are presented in the particular case of Cu(111).
ISSN:0039-6028
1879-2758
DOI:10.1016/0039-6028(85)90884-2