The vast amount of strongly bonded C-C bonds in the high concentration simulations make these configurations energetically more favorable compared to the low concentration configuration.
However, in the same way, a lot of energy is needed to break these bonds to get out of the local energy minimum advancing towards the global minimum configuration.
Thus, such conformational changes are very unlikely to happen.
-This is in accordance with the constant total energy observed in the continuation step of \unit[100]{ps} inbetween the end of C insertion and the cooling process.
+This is in accordance with the constant total energy observed in the continuation step of \unit[100]{ps} in between the end of C insertion and the cooling process.
Obviously, no energetically favorable relaxation is taking place at a system temperature of \unit[450]{$^{\circ}$C}.
The C-C peak at about \unit[0.31]{nm} perfectly matches the nearest neighbor distance of two C atoms in the 3C-SiC lattice.
However, since the quality value does not account for bond lengthes, bond angles, crystallinity or the stacking sequence, high values of $Q$ not necessarily correspond to structures close to 3C-SiC.
Structures that look promising due to high quality values need to be further investigated by other means.
-\subsection{Low C concetration simulations}
+\subsection{Low C concentration simulations}
\begin{figure}[tp]
\begin{center}
%
Obviously, the shift of the peak is caused by the advancing transformation of the C$_{\text{i}}$ DB into the C$_{\text{s}}$ defect.
Next to combinations of two \cs{} atoms or \ci{} \hkl<1 0 0> DBs, combinations of \ci{} \hkl<1 0 0> DBs with a \cs{} atom arise.
-In addition, structures form that result in distances residing inbetween the ones obtained from combinations of mixed defect types and the ones obtained by \cs{} configurations, as can be seen by quite high $g(r)$ values in between the continuous dashed line and the first arrow with a solid line.
+In addition, structures form that result in distances residing in between the ones obtained from combinations of mixed defect types and the ones obtained by \cs{} configurations, as can be seen by quite high $g(r)$ values in between the continuous dashed line and the first arrow with a solid line.
For the most part, these structures can be identified as configurations of \cs{} with either another C atom that basically occupies a Si lattice site but is displaced by a \si{} atom residing in the very next surrounding or a C atom that nearly occupies a Si lattice site forming a defect other than the \hkl<1 0 0>-type with the Si atom.
Again, this is a quite promising result since the C atoms are taking the appropriate coordination as expected in 3C-SiC.
%However, this is contrary to the initial precipitation model proposed in section \ref{section:assumed_prec}, which assumes that the transformation into 3C-SiC takes place in a very last step once enough C-Si DBs agglomerated.
Isolated structures of stretched SiC, which are adjusted to the c-Si host with respect to the lattice constant and alignement, are formed.
It would be conceivable that by agglomeration of further \cs{} atoms the interfacial energy could be overcome and a transition from a coherent and stretched SiC structure into an incoherent and partially strain-compensated SiC precipitate could occur.
-\subsection{High C concetration simulations}
+\subsection{High C concentration simulations}
\begin{figure}[tp]
\begin{center}
Thus, elevated temperatures are considered to constitute a necessary condition to deviate the system from equilibrium, as it is the case in IBS.
It is concluded that precipitation occurs by successive agglomeration of C$_{\text{s}}$ as already proposed by Nejim et~al.~\cite{nejim95}.
-This agrees well with a previous results of the {\em ab initio} study on defects in C implanted Si, which show C$_{\text{s}}$ to occur in all probability.
+This agrees well with previous results of the {\em ab initio} study on defects in C implanted Si, which show C$_{\text{s}}$ to occur in all probability.
However, agglomeration and rearrangement is enabled by mobile C$_{\text{i}}$, which has to be present at the same time and is formed by recombination of C$_{\text{s}}$ and Si$_{\text{i}}$.
In contrast to assumptions of an abrupt precipitation of an agglomerate of C$_{\text{i}}$ \cite{werner96,werner97,eichhorn99,lindner99_2,koegler03}, however, structural evolution is believed to occur by a successive occupation of usual Si lattice sites with substitutional C.
This mechanism satisfies the experimentally observed alignment of the \hkl(h k l) planes of the precipitate and the substrate, whereas there is no obvious reason for the topotactic orientation of an agglomerate consisting exclusively of C-Si dimers, which would necessarily involve a much more profound change in structure for the transition into SiC.
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