-Silicon (Si) nucleates in diamond structure.
-This structure is composed of two fcc lattices, which are displaced by one quarter of the volume diagonal.
-3C-SiC nucleates in zincblende structure, where the atoms of one fcc lattice are substituted by carbon atoms.
-The length of four lattice constants of Si is approximately equal to the length of five 3C-SiC lattice constants ($4a_{Si}\approx 5a_{3C-SiC}$), which means that there is a lattice misfit of almost 20\%.
-Due to this the silicon density of 3C-SiC is slightly lower than the one of Si.
-
-\begin{figure}[!h]
- \begin{center}
- \begin{minipage}{5.5cm}
- \includegraphics[width=5cm]{sic_prec_seq_01.eps}
- \end{minipage}
- \begin{minipage}{5.5cm}
- \includegraphics[width=5cm]{sic_prec_seq_02.eps}
- \end{minipage}
- \begin{minipage}{5.5cm}
- \includegraphics[width=5cm]{sic_prec_seq_03.eps}
- \end{minipage}
- \caption{Schematic of the supposed conversion mechanism of highly C doped Si into SiC. C is represented by red dots, Si by black dots and residual Si atoms by white dots with black border. The figure shows the dumbbell formation (left), the agglomeration into clusters (middle) and the situation after precipitation (right).}
- \end{center}
-\end{figure}
-There is a supposed conversion mechanism of heavily carbon doped Si into SiC.
-Fig. 1 schematically displays the mechanism.
-As indicated by high resolution transmission microscopy \cite{} introduced carbon atoms (red dots) form C-Si dumbbells on regular Si (black dots) lattice sites.
-The dumbbells agglomerate int large clusters, so called embryos.
-Finally, when the cluster size reaches a critical radius of 2 to 4 nm, the high interfacial energy due to the lattice misfit is overcome and the precipitation occurs.
-Due to the slightly lower silicon density of 3C-SiC residual silicon atoms exist.
-The residual atoms will most probably end up as self interstitials in the silicon matrix since there is more space than in 3C-SiC.
-
-Taking this into account, it is important to understand both, the configuration and dynamics of carbon interstitials in silicon and silicon self interstitials.
-Additionaly the influence of interstitials on atomic diffusion is investigated.
-
-\section*{Simulation}
+Silicon has diamond structure and thus is composed of two fcc lattices which are displaced by one quarter of the volume diagonal.
+3C-SiC grows in zincblende structure, i.e. is also composed of two fcc lattices out of which one is occupied by Si the other by C atoms.
+The length of four lattice constants of Si is approximately equal to the length of five 3C-SiC lattice constants ($4a_{\text{Si}}\approx 5a_{\text{3C-SiC}}$) resulting in a lattice misfit of almost 20\%.
+Due to this the silicon atomic density of 3C-SiC is slightly lower than the one of pure Si.
+
+%\begin{figure}[!h]
+% \begin{center}
+% \begin{minipage}{5.5cm}
+% \includegraphics[width=5cm]{sic_prec_seq_01_s.eps}
+% \end{minipage}
+% \begin{minipage}{5.5cm}
+% \includegraphics[width=5cm]{sic_prec_seq_02_s.eps}
+% \end{minipage}
+% \begin{minipage}{5.5cm}
+% \includegraphics[width=5cm]{sic_prec_seq_03_s.eps}
+% \end{minipage}
+% \caption{Schematic of the supposed conversion mechanism of highly C (${\color{red}\Box}$) doped Si (${\color{black}\bullet}$) into SiC ($_{\color{black}\bullet}^{{\color{red}\Box}}$) and residual Si atoms ($\circ$). The figure shows the dumbbell formation (left), the agglomeration into clusters (middle) and the situation after precipitation (right).}
+% \end{center}
+%\end{figure}
+There is a supposed conversion mechanism of heavily carbon doped Si into SiC \cite{werner97}.
+As concluded by high resolution transmission electron microscopy \cite{werber97,} introduced carbon atoms form C-Si dumbbells on regular Si lattice sites.
+The dumbbells agglomerate into large clusters, called embryos.
+Finally, when the cluster size reaches a critical radius of 2 to 4 nm, the high interfacial energy due to the 3C-SiC/Si lattice misfit is overcome and precipitation occurs.
+Due to the slightly lower silicon density of 3C-SiC excessive silicon atoms exist which will most probably end up as self-interstitials in the silicon matrix since there is more space than in 3C-SiC.
+
+Thus, in addition to the precipitation event itself, knowledge of C and Si interstitials in Si are of great interest in order to investigate the precipitation of heavily C doped Si into SiC.
+%Additionaly the influence of interstitials on atomic diffusion is investigated.
+
+\section*{Simulation sequences}