Both C atoms form tetrahedral bonds to four Si atoms.
However, Si atom number 1 and number 3, which are bound to the second \ci{} atom are also bound to the initial C atom.
These four atoms of the rhomboid reside in a plane and, thus, do not match the situation in SiC.
-The Carbon atoms have a distance of \unit[2.75]{\AA}.
+The C atoms have a distance of \unit[2.75]{\AA}.
In Fig. \ref{fig:defects:190} the relaxed structure of a \hkl[0 1 0] DB constructed at position 2 is displayed.
An energy of \unit[-1.90]{eV} is observed.
The initial DB and especially the C atom is pushed towards the Si atom of the second DB forming an additional fourth bond.
In chapter \ref{chapter:defects} results of investigations of single defect configurations, structures of combinations of two individual defects as well as some selected diffusion pathways in silicon are shown.
These allow to draw conclusions with respect to the SiC precipitation mechanism in Si.
More complex systems aiming to model the transformation of C incorporated in bulk Si into a SiC nucleus are examined in chapter \ref{chapter:md}.
-Finally a summary and some concluding remarks are given in chapter \ref{chapter:summary}.
+Finally a summary and concluding remarks are given in chapter \ref{chapter:summary}.
\chapter{Summary and conclusions}
\label{chapter:summary}
-{\setlength{\parindent}{0pt}
-%\paragraph{To summarize,}
{\bf To summarize},
in a short review of the C/Si compound and the fabrication of the technologically promising semiconductor SiC by IBS, two controversial assumptions of the precipitation mechanism of 3C-SiC in c-Si are elaborated.
}
Indeed, utilizing increased temperatures is assumed to constitute a necessary condition to simulate IBS of 3C-SiC in c-Si.
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-% todo - sync with respective conclusion chapter
-%
% conclusions 2nd part
-%\paragraph{Conclusions}
{\bf Conclusions}
concerning the SiC conversion mechanism are derived from results of both, first-principles and classical potential calculations.
Although classical potential MD calculations fail to directly simulate the precipitation of SiC, obtained results, on the one hand, reinforce previous findings of the first-principles investigations and, on the other hand, allow further conclusions on the SiC precipitation in Si.