Solving surface structures from normal incidence X-ray standing wave data

Published: 1 September 2007| Version 1 | DOI: 10.17632/cfmsr47984.1
Mark Basham, Roger A. Bennett


Abstract A program is provided to determine structural parameters of atoms in or adsorbed on surfaces by refinement of atomistic models towards experimentally determined data generated by the normal incidence X-ray standing wave (NIXSW) technique. The method employs a combination of Differential Evolution Genetic Algorithms and Steepest Descent Line Minimisations to provide a fast, reliable and user friendly tool for experimentalists to interpret complex multidimensional NIXSW data sets. Program summa... Title of program: NIXSW Planewave Solver Catalogue Id: ADZE_v1_0 Nature of problem Using NIXSW experimental data to calculate atomic positions of adsorbates. Versions of this program held in the CPC repository in Mendeley Data ADZE_v1_0; NIXSW Planewave Solver; 10.1016/j.cpc.2007.05.006 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Surface Science, Condensed Matter Physics, Computational Physics