From b4d7c0b64e8ccb8cbf8ab1850a1a1bda5c28c560 Mon Sep 17 00:00:00 2001 From: hackbard Date: Fri, 23 Apr 2010 15:47:28 +0200 Subject: [PATCH] ecurity checkin, since prall! --- posic/thesis/md.tex | 17 ++++++++++++++--- 1 file changed, 14 insertions(+), 3 deletions(-) diff --git a/posic/thesis/md.tex b/posic/thesis/md.tex index 5c3cb30..c267178 100644 --- 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} -- 2.39.2