\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
{\bf Limitations related to the short range potential}\\[0.2cm]
Cut-off function limits interaction to next neighbours\\
-$\Rightarrow$ Overestimated unphysical high forces of next neighbours
- (factor: 2.4--3.4)
+$\Rightarrow$ Overestimated diffusion barrier (factor: 2.4--3.4)
\vspace{1.4cm}
\item Low T $\rightarrow$ C-Si \hkl<1 0 0> dumbbell dominated structure
\item High T $\rightarrow$ C$_{\text{sub}}$ dominated structure
\item High T necessary to simulate IBS conditions (far from equilibrium)
- \item Increased participation of \cs{} in the precipitation process
+ \item \cs{} involved in the precipitation process at elevated temperatures
\item \si{}: vehicle to form \cs{} \& supply of Si \& stress compensation
(stretched SiC, interface)
\end{itemize}
\begin{center}
{\color{blue}\bf
-\framebox{Precipitation by successive agglomeration of \cs{}}
+\framebox{IBS: 3C-SiC precipitation occurs by successive agglomeration of \cs{}}
}
\end{center}