Collect. Czech. Chem. Commun. 1992, 57, 241-247

The Effect of Cluster Size on the Characteristics of Chemisorption in the Model Growth of Silicon Crystals

Jaroslav Burdaa, Michal Burešb and Čestmír Černýb

a Institute of Macromolecular Chemistry, Czechoslovak Academy of Sciences, 162 06 Prague 6
b Department of Physical Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6


The optimum cluster model size for the simulation of silicon crystal growth was sought by using the semiempirical CNDO/2 method. The Si4H9 system emerged as a reasonable compromise between the convergence of results and computation demands.