From a8296c4a2339e4d9e74da954ff2fb97dc44444e4 Mon Sep 17 00:00:00 2001 From: hackbard Date: Fri, 10 Sep 2010 00:25:51 +0200 Subject: [PATCH] more small changes --- posic/publications/defect_combos.tex | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/posic/publications/defect_combos.tex b/posic/publications/defect_combos.tex index 31ee1a8..7b10dc6 100644 --- a/posic/publications/defect_combos.tex +++ b/posic/publications/defect_combos.tex @@ -220,11 +220,11 @@ In contrast, the parallel and particularly the twisted orientations constitute e Mattoni et al.\cite{mattoni2002} predict the ground state configuration for a \hkl[1 0 0] or equivalently a \hkl[0 1 0] defect created at position 1 with both defects basically maintaining the as-isolated DB structure, resulting in a binding energy of \unit[-2.1]{eV}. In this work we observed a further relaxation of this defect structure. The C atom of the second and the Si atom of the initial DB move towards each other forming a bond, which results in a somewhat lower binding energy of \unit[-2.25]{eV}. -Apart from that, a more favorable configuration was found for the combination with a \hkl[0 -1 0] and \hkl[-1 0 0] DB respectively, which is assumed to constitute the actual ground state configuration of two C$_{\text{i}}$ DBs in Si. +Apart from that, we found a more favorable configuration for the combination with a \hkl[0 -1 0] and \hkl[-1 0 0] DB respectively, which is assumed to constitute the actual ground state configuration of two C$_{\text{i}}$ DBs in Si. The atomic arrangement is shown in the bottom right of Fig.~\ref{fig:036-239}. The two C$_{\text{i}}$ atoms form a strong C-C bond, which is responsible for the large gain in energy resulting in a binding energy of \unit[-2.39]{eV}. -Investigating migration barriers enables to predict the probability of formation of defect complexes by thermally activated diffusion processes. +Investigating migration barriers allows to predict the probability of formation of defect complexes by thermally activated diffusion processes. % ground state configuration, C cluster Based on the lowest energy migration path of a single C$_{\text{i}}$ DB the configuration, in which the second C$_{\text{i}}$ DB is oriented along \hkl[0 1 0] at position 2 is assumed to constitute an ideal starting point for a transition into the ground state. In addition, the starting configuration exhibits a low binding energy (\unit[-1.90]{eV}) and is, thus, very likely to occur. -- 2.20.1