Theory of low-energy electron diffraction for nanomaterials—subclusters, automated searchesJournal of Physics Condensed Matter (2008)
To enable the determination of detailed structures of nanomaterials, we have previously made the theory of low-energy electron diffraction (LEED) much more efficient for complex and disordered systems, calling it NanoLEED: our cluster approach speeds up the computation to scale as n log n, rather than the standard n3 or n2 , with n the number of atoms, for example. Strong multiple scattering may occasionally cause poor convergence: this is solved here by treating all scattering within subclusters of a few atoms (e.g. a SiHnnlog3n2n3 group) with accurate matrix inversion. For the structure determination of complex nanostructures, an efficient search method is also essential: for that purpose a modified version of tensor LEED is here adapted to nanostructures, and called NanoTensorLEED.
Citation InformationG M Gavaza, Z X Yu, M. A. Van Hove and S Y Tong. "Theory of low-energy electron diffraction for nanomaterials—subclusters, automated searches" Journal of Physics Condensed Matter Vol. 20 Iss. 30 (2008) ISSN: 1361648X
Available at: http://works.bepress.com/mavanhove/88/