\scriptsize
-\vspace{0.2cm}
+\vspace{0.3cm}
\begin{minipage}{6.8cm}
\framebox{\hkl[0 0 -1] $\rightarrow$ \hkl[0 0 1]}\\
\begin{minipage}{2.0cm}
\includegraphics[width=2.0cm]{c_pd_vasp/100_next_2333.eps}
\end{minipage}\\[0.1cm]
-Spin polarization\\
-$\Rightarrow$ BC configuration constitutes local minimum\\
+Symmetry:\\
+$\Rightarrow$ Sufficient to consider \hkl[00-1] to BC transition\\
$\Rightarrow$ Migration barrier to reach BC | $\Delta E=\unit[1.2]{eV}$
\end{minipage}
\begin{minipage}{5.4cm}
\includegraphics[width=6.0cm]{im_00-1_nosym_sp_fullct_thesis_vasp_s.ps}
%\end{minipage}\\[0.2cm]
-\end{minipage}\\[0.3cm]
+\end{minipage}\\[0.4cm]
%\hrule
%
\begin{minipage}{6.8cm}
\headphd
{\large\bf\boldmath
- Defect combinations
+ Defect combinations --- ab inito
}
\footnotesize
due to symmetry it is sufficient to merely consider the migration into the bc
configuration.
an activation energy of 1.2 eV is obtained.
+actually another barrier exists to reach a 100 type configuration.
in path two, the carbon atom moves towards the same silicon atom, however,
it escapes the 110 plane and forms a 0-10 oriented db.