From c48ffef87245811a698d3337c9e61242a4efc510 Mon Sep 17 00:00:00 2001 From: hackbard Date: Tue, 6 Apr 2010 18:55:43 +0200 Subject: [PATCH] more si-c --- posic/thesis/md.tex | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/posic/thesis/md.tex b/posic/thesis/md.tex index 8f762a3..0af5010 100644 --- a/posic/thesis/md.tex +++ b/posic/thesis/md.tex @@ -202,9 +202,10 @@ This excellently agrees with the calculated value $r(13)$ in table \ref{tab:defe \label{fig:md:pc_si-c} \end{figure} Figure \ref{fig:md:pc_si-c} displays the Si-C radial distribution function for all three insertion volumes together with the Si-C bonds as observed in a C-Si \hkl<1 0 0> dumbbell configuration. -The first peak observed for all insertion volumes is at approximately 0.185 nm. +The first peak observed for all insertion volumes is at approximately 0.186 nm. This corresponds quite well to the expected next neighbour distance of 0.189 nm for Si and C atoms in 3C-SiC. - +By comparing the resulting Si-C bonds of a C-Si \hkl<1 0 0> dumbbell with the C-Si distances of the low concentration simulation it is evident that the resulting structure of the $V_1$ simulation is dominated by this type of defects. +This is not surpsisingly, since the \hkl<1 0 0> dumbbell is found to be the ground-state defect of a C interstitial in c-Si and for the low concentration simulations a carbon interstitial is expected in every fifth silicon unit-cell ... \subsection{Increased temperature simulations} -- 2.20.1