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http://dspace.mediu.edu.my:8181/xmlui/handle/10261/2758| Title: | Quantitative LEED analysis using a simultaneous optimisation algorithm |
| Keywords: | Low-Energy Electron Diffraction |
| Description: | The performance of a combinatorial simultaneous optimisation algorithm (SO)
is tested using experimental LEED I(E) data from Cu(100) and Fe$_{0.57}$Al$_{0.47}$(100) surfaces. SO optimises structures taking advantage of the experimental database at two
levels:
(i) conmensurate subsets of the database with the number of unknown parameters
are chosen to find local solutions using Broyden's method and,
(ii) these partial structural solutions are used to build a Markov chain over
the whole database.
This procedure is of global character, the same as simulated annealing or
genetic algorithms methods, but
displays a very competitive scaling law
because after the first iteration candidates are not chosen by a blind/random pick; they are already solutions to the problem with a restricted experimental database. Financed by CYCIT (MAT-2005-3866) and MEC (CONSOLIDER NANOSELEC-26400) |
| URI: | http://dspace.mediu.edu.my:8181/xmlui/handle/10261/2758 |
| Other Identifiers: | http://hdl.handle.net/10261/2758 |
| Appears in Collections: | Digital Csic |
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