sec checkin

diff --git a/posic/thesis/defects.tex b/posic/thesis/defects.tex
index f2eb70e..a7c8a24 100644 (file)
--- a/posic/thesis/defects.tex
+++ b/posic/thesis/defects.tex
@@ -526,13 +526,20 @@ $\rightarrow$
 \end{minipage}
 \end{minipage}
 \end{center}
-\label{img:defects:c_mig_path}
 \caption{Migration pathways of the carbon \hkl<1 0 0> interstitial dumbbell in silicon.}
+\label{img:defects:c_mig_path}
 \end{figure}
-Three different migration paths are accounted in this work, which are shown in figure \ref{img:defects:c_mig_path}
+Three different migration paths are accounted in this work, which are shown in figure \ref{img:defects:c_mig_path}.
 The first migration investigated is a transition of a \hkl<0 0 -1> into a \hkl<0 0 1> dumbbell interstitial configuration.
-The new silicon dumbbell partner is the one located at $\frac{a}{4}\hkl<1 1 -1>$ compared to the initial one.
-The carbon atom resides in the \hkl(1 1 0) plane along the path.
+During this migration the carbon atom is changing its silicon dumbbell partner.
+The new partner is the one located at $\frac{a}{4}\hkl<1 1 -1>$ relative to the initial one.
+Two of the three bonds to the next neighboured silicon atoms are preserved while the breaking of the other bond and the formation of a new bond is observed.
+The carbon atom resides in the \hkl(1 1 0) plane.
+This transition involves the bond-centerd configuration.
+Due to symmetry it is enough to consider the transition from the bond-centered to the \hkl<1 0 0> configuration.
+In the second path, the carbon atom is changing its silicon partner atom as in path one.
+In addition, the dumbbell configuration is changing
+
 As a last migration path, the \hkl<0 0 -1>
 
 Since the starting and final structure, which are both local minima of the potential energy surface are known, the aim is to find the minimum energy path from one local minimum to the other one.