\begin{minipage}{5cm}
\underline{Tetrahedral}\\
$E_{\text{f}}=3.40\,\text{eV}$\\
-\includegraphics[width=4.0cm]{si_pd_albe/tet.eps}
+\includegraphics[width=4.0cm]{si_pd_albe/tet_bonds.eps}
\end{minipage}
\begin{minipage}{10cm}
\underline{Hexagonal}\\[0.1cm]
\begin{minipage}{4cm}
$E_{\text{f}}^*=4.48\,\text{eV}$\\
-\includegraphics[width=4.0cm]{si_pd_albe/hex_a.eps}
+\includegraphics[width=4.0cm]{si_pd_albe/hex_a_bonds.eps}
\end{minipage}
\begin{minipage}{0.8cm}
\begin{center}
\end{minipage}
\begin{minipage}{4cm}
$E_{\text{f}}=3.96\,\text{eV}$\\
-\includegraphics[width=4.0cm]{si_pd_albe/hex.eps}
+\includegraphics[width=4.0cm]{si_pd_albe/hex_bonds.eps}
\end{minipage}
\end{minipage}\\[0.2cm]
\begin{minipage}{5cm}
\underline{\hkl<1 0 0> dumbbell}\\
$E_{\text{f}}=5.42\,\text{eV}$\\
-\includegraphics[width=4.0cm]{si_pd_albe/100.eps}
+\includegraphics[width=4.0cm]{si_pd_albe/100_bonds.eps}
\end{minipage}
\begin{minipage}{5cm}
\underline{\hkl<1 1 0> dumbbell}\\
$E_{\text{f}}=4.39\,\text{eV}$\\
-\includegraphics[width=4.0cm]{si_pd_albe/110.eps}
+\includegraphics[width=4.0cm]{si_pd_albe/110_bonds.eps}
\end{minipage}
\begin{minipage}{5cm}
\underline{Vacancy}\\
\end{flushleft}
%\hrule
\end{center}
-\caption[Relaxed Si self-interstitial defect configurations obtained by classical potential calculations.]{Relaxed Si self-interstitial defect configurations obtained by classical potential calculations. The Si atoms and the bonds (only for the interstitial atom) are illustrated by yellow spheres and blue lines.}
+\caption[Relaxed Si self-interstitial defect configurations obtained by classical potential calculations.]{Relaxed Si self-interstitial defect configurations obtained by classical potential calculations. Si atoms and bonds are illustrated by yellow spheres and blue lines. Bonds of the defect atoms are drawn in red color.}
\label{fig:defects:conf}
\end{figure}
The final configurations obtained after relaxation are presented in Fig. \ref{fig:defects:conf}.
\begin{minipage}{4cm}
\underline{Hexagonal}\\
$E_{\text{f}}^*=9.05\,\text{eV}$\\
-\includegraphics[width=4.0cm]{c_pd_albe/hex.eps}
+\includegraphics[width=4.0cm]{c_pd_albe/hex_bonds.eps}
\end{minipage}
\begin{minipage}{0.8cm}
\begin{center}
\begin{minipage}{4cm}
\underline{\hkl<1 0 0>}\\
$E_{\text{f}}=3.88\,\text{eV}$\\
-\includegraphics[width=4.0cm]{c_pd_albe/100.eps}
+\includegraphics[width=4.0cm]{c_pd_albe/100_bonds.eps}
\end{minipage}
\begin{minipage}{0.5cm}
\hfill
\begin{minipage}{5cm}
\underline{Tetrahedral}\\
$E_{\text{f}}=6.09\,\text{eV}$\\
-\includegraphics[width=4.0cm]{c_pd_albe/tet.eps}
+\includegraphics[width=4.0cm]{c_pd_albe/tet_bonds.eps}
\end{minipage}\\[0.2cm]
\begin{minipage}{4cm}
\underline{Bond-centered}\\
$E_{\text{f}}^*=5.59\,\text{eV}$\\
-\includegraphics[width=4.0cm]{c_pd_albe/bc.eps}
+\includegraphics[width=4.0cm]{c_pd_albe/bc_bonds.eps}
\end{minipage}
\begin{minipage}{0.8cm}
\begin{center}
\begin{minipage}{4cm}
\underline{\hkl<1 1 0> dumbbell}\\
$E_{\text{f}}=5.18\,\text{eV}$\\
-\includegraphics[width=4.0cm]{c_pd_albe/110.eps}
+\includegraphics[width=4.0cm]{c_pd_albe/110_bonds.eps}
\end{minipage}
\begin{minipage}{0.5cm}
\hfill
\begin{minipage}{5cm}
\underline{Substitutional}\\
$E_{\text{f}}=0.75\,\text{eV}$\\
-\includegraphics[width=4.0cm]{c_pd_albe/sub.eps}
+\includegraphics[width=4.0cm]{c_pd_albe/sub_bonds.eps}
\end{minipage}
\end{flushleft}
\end{center}
-\caption[Relaxed C point defect configurations obtained by classical potential calculations.]{Relaxed C point defect configurations obtained by classical potential calculations. The Si/C atoms and the bonds (only for the interstitial atom) are illustrated by yellow/gray spheres and blue lines.}
+\caption[Relaxed C point defect configurations obtained by classical potential calculations.]{Relaxed C point defect configurations obtained by classical potential calculations. Si/C atoms and bonds are illustrated by yellow/gray spheres and blue lines. Bonds of the defect atoms are drawn in red color.}
\label{fig:defects:c_conf}
\end{figure}
Both C atoms form tetrahedral bonds to four Si atoms.
However, Si atom number 1 and number 3, which are bound to the second \ci{} atom are also bound to the initial C atom.
These four atoms of the rhomboid reside in a plane and, thus, do not match the situation in SiC.
-The Carbon atoms have a distance of \unit[2.75]{\AA}.
+The C atoms have a distance of \unit[2.75]{\AA}.
In Fig. \ref{fig:defects:190} the relaxed structure of a \hkl[0 1 0] DB constructed at position 2 is displayed.
An energy of \unit[-1.90]{eV} is observed.
The initial DB and especially the C atom is pushed towards the Si atom of the second DB forming an additional fourth bond.