ecurity checkin, since prall!

diff --git a/posic/thesis/md.tex b/posic/thesis/md.tex
index 5c3cb30..c267178 100644 (file)
--- a/posic/thesis/md.tex
+++ b/posic/thesis/md.tex
@@ -322,7 +322,7 @@ Conclusions drawn from investigations of the quality evolution correlate well wi
 \includegraphics[width=12cm]{tot_pc2_thesis.ps}\\
 \includegraphics[width=12cm]{tot_pc3_thesis.ps}
 \end{center}
-\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 $20\,^{\circ}\mathrm{C}$.}
+\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 $20\,^{\circ}\mathrm{C}$. Arrows with dashed lines mark C-C distances of \hkl<1 0 0> dumbbell combinations and those with solid lines mark C-C distances of combinations of substitutional C. The dashed line corresponds to the distance of a substitutional C with a next neighboured \hkl<1 0 0> dumbbell.}
 \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}.
@@ -333,8 +333,19 @@ Since the expected distance of these Si pairs in 3C-SiC is 0.308 nm the existing
 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!
+A slight shift towards higher distances can be observed for the maximum above 0.3 nm.
+Arrows with dashed lines mark C-C distances resulting from \hkl<1 0 0> dumbbell combinations while the arrows with the solid line mark distances arising from combinations of substitutional C.
+The continuous dashed line corresponds to the distance of a substitutional C with a next neighboured \hkl<1 0 0> dumbbell.
+By comparison with the radial distribution it becomes evident that the shift accompanies the advancing transformation of \hkl<1 0 0> dumbbells into substitutional C.
+Next to combinations of two substitutional C atoms and two \hkl<1 0 0> dumbbells respectively also combinations of \hkl<1 0 0> dumbbells with a substitutional C 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 substitutional C configurations, as can be seen by quite high g(r) values to the right of the continuous dashed line and to the left of the first arrow with a solid line.
+For the most part these structures can be identified as configurations of one substitutional C atom with either another C atom that basically occupies a Si lattice with a Si interstitial 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 ...
+Both cases ...
+Might be due to other defects compensatig strain by pushing them together.
+Actually promising result, since the structure is right and even the lengthes begin to compare.
+Structures with 3 C which are right in place are observable.
+Hmm ... foo.
 
 \subsection{Constructed 3C-SiC precipitate in crystalline silicon}