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A simple and effective procedure for the refinement of surface structure in LEED

Adams, DL (2002) In Surface Science 519(3). p.157-172
Abstract
A simple and effective procedure is described for the determination of the best-fit parameters of a given model of a surface structure by analysis of low energy electron diffraction (LEED) intensities. The procedure involves a nonlinear minimisation of chi(2) for the comparison of experimental and calculated intensities as a function of the parameters of the model structure. The minimisation is carried out using the quadratic tensor model algorithm of Hanson and Krogh, which is found to have a number of advantages over more commonly used minimisation schemes. The procedure requires no changes to existing LEED code, and has therefore a quite general applicability. The results of tests of the procedure are presented for a number of surface... (More)
A simple and effective procedure is described for the determination of the best-fit parameters of a given model of a surface structure by analysis of low energy electron diffraction (LEED) intensities. The procedure involves a nonlinear minimisation of chi(2) for the comparison of experimental and calculated intensities as a function of the parameters of the model structure. The minimisation is carried out using the quadratic tensor model algorithm of Hanson and Krogh, which is found to have a number of advantages over more commonly used minimisation schemes. The procedure requires no changes to existing LEED code, and has therefore a quite general applicability. The results of tests of the procedure are presented for a number of surface structures that have been studied previously. These tests show that the procedure converges rapidly to the optimal values of the structural and nonstructural parameters of the surface structure. (Less)
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author
publishing date
type
Contribution to journal
publication status
published
subject
keywords
morphology, low energy electron diffraction (LEED), surface structure, roughness, and topography
in
Surface Science
volume
519
issue
3
pages
157 - 172
publisher
Elsevier
external identifiers
  • wos:000179005200002
  • scopus:0037058329
ISSN
0039-6028
DOI
10.1016/S0039-6028(02)02244-6
language
English
LU publication?
no
id
21c04253-420c-4220-b5f4-93b693e1d7a1 (old id 324369)
date added to LUP
2007-08-02 10:10:49
date last changed
2017-12-10 04:29:11
@article{21c04253-420c-4220-b5f4-93b693e1d7a1,
  abstract     = {A simple and effective procedure is described for the determination of the best-fit parameters of a given model of a surface structure by analysis of low energy electron diffraction (LEED) intensities. The procedure involves a nonlinear minimisation of chi(2) for the comparison of experimental and calculated intensities as a function of the parameters of the model structure. The minimisation is carried out using the quadratic tensor model algorithm of Hanson and Krogh, which is found to have a number of advantages over more commonly used minimisation schemes. The procedure requires no changes to existing LEED code, and has therefore a quite general applicability. The results of tests of the procedure are presented for a number of surface structures that have been studied previously. These tests show that the procedure converges rapidly to the optimal values of the structural and nonstructural parameters of the surface structure.},
  author       = {Adams, DL},
  issn         = {0039-6028},
  keyword      = {morphology,low energy electron diffraction (LEED),surface structure,roughness,and topography},
  language     = {eng},
  number       = {3},
  pages        = {157--172},
  publisher    = {Elsevier},
  series       = {Surface Science},
  title        = {A simple and effective procedure for the refinement of surface structure in LEED},
  url          = {http://dx.doi.org/10.1016/S0039-6028(02)02244-6},
  volume       = {519},
  year         = {2002},
}