https://doi.org/10.1007/s100530170055
Theoretical study of small silicon clusters on a graphite layer
1
The Computational Center for Molecular Structure and Interactions, Department of
Physics, ATM and General Sciences, Jackson State University, Jackson, MS 39217, USA
2
Department of Physics, University of Hawaii, 2505 Correa Road, Honolulu, Hawaii 96822, USA
Corresponding author: a hagx@twister.jsums.edu
Received:
30
November
2000
Published online: 15 September 2001
In a series of recent experiments, the HOMO-LUMO energy gaps of small Si clusters deposited on a graphite substrate have been determined by Scanning Tunneling Microscopy (STM). The values obtained were found to be substantially smaller than the energy gaps of corresponding passivated clusters. This work considers dimensional reduction as a possible mechanism for a sizeable energy gap narrowing by the example of the system Si5. The impact of the graphite substrate on the deposited species is investigated in the framework of a pseudocluster model.
PACS: 36.40.Cg – Electronic and magnetic properties of clusters / 61.46.+w – Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2001
