more low c high t findings ...

diff --git a/posic/thesis/md.tex b/posic/thesis/md.tex
index 648e5aa42b116434634744a1a8334ebff042e8cb..5c3cb309e7b46146244907c6127f00eb50059c8a 100644 (file)
--- a/posic/thesis/md.tex
+++ b/posic/thesis/md.tex
@@ -325,6 +325,16 @@ Conclusions drawn from investigations of the quality evolution correlate well wi
 \caption[C-C and Si-Si radial distribution for the low concentration simulations at different elevated temperatures.]{C-C and Si-Si radial distribution for the low concentration simulations at different elevated temperatures. All structures are cooled down to $20\,^{\circ}\mathrm{C}$.}
 \label{fig:md:tot_c-c_si-si}
 \end{figure}
+The formation of substitutional carbon also affects the Si-Si radial distribution displayed in the lower part of figure \ref{fig:md:tot_c-c_si-si}.
+Investigating the atomic strcuture indeed shows that the peak arising at 0.325 nm with increasing temperature is due to two Si atoms directly bound to a C substitutional.
+It corresponds to the distance of second next neighboured Si atoms along a \hkl<1 1 0>-equivalent direction with substitutional C inbetween.
+Since the expected distance of these Si pairs in 3C-SiC is 0.308 nm the existing SiC structures embedded in the c-Si host are stretched.
+
+In the upper part of figure \ref{fig:md:tot_c-c_si-si} the C-C radial distribution is shown.
+With increasing temperature a decrease of the amount of next neighboured C pairs can be observed.
+This is a promising result gained by the high temperature simulations since the breaking of these diomand and graphite like bonds is mandatory for the formation of 3C-SiC.
+
+TODO: mark 100-100 sub-100 and sub-sub C-C distances in plot ... then explain!
 
 \subsection{Constructed 3C-SiC precipitate in crystalline silicon}