-Silicon (Si) nucleates in diamond structure.
-Contains of two fcc lattices, on displaced one quarter of volume diagonal compared to the first.
-3C-SiC nucleates in zincblende structure where the shifted fcc lattice sites are composed of 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 silicon.
-
-\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.}
- \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 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}