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DS: Fachverband Dünne Schichten

DS 42: Layer Growth: Evolution of Structure and Simulation

DS 42.2: Talk

Friday, February 29, 2008, 16:30–16:45, H 2032

Molecular dynamics simulation study of the silicon carbide precipitation process — •Frank Zirkelbach¹, Jörg K. N. Lindner¹, Kai Nordlund², and Bernd Stritzker¹ — ¹Experimentalphysik IV, Institut für Physik, Universität Augsburg, Universitätsstr. 1, D-86135 Augsburg, Germany — ²Accelerator Laboratory, Department of Physical Sciences, University of Helsinki, Pietari Kalmink. 2, 00014 Helsinki, Finland

The precipitation process of silicon carbide in heavily carbon doped silicon is not yet understood for the most part. High resolution transmission electron microscopy indicates that in a first step carbon atoms form C-Si dumbbells on regular Si lattice sites which agglomerate into large clusters. In a second step, when the cluster size reaches a radius of a few nm, the high interfacial energy due to the SiC/Si lattice misfit of almost 20A molecular dynamics simulation approach is used to gain information of the precipitation process on the atomic level. A newly parametrized Tersoff like bond-order potential is used to model the system appropriately. The present work discusses the first results gained by the molecular dynamics simulation.