finished cover txt for pscc

diff --git a/posic/cover/pssc_cover.tex b/posic/cover/pssc_cover.tex
index b235e2c97e4d1ff56f21d15e3d0912be5b4bacf1..ed17565b4e6742b75d842cb84413fbc6d8139bae 100644 (file)
--- a/posic/cover/pssc_cover.tex
+++ b/posic/cover/pssc_cover.tex
@@ -53,22 +53,41 @@
 
 \selectlanguage{english}
 
-\maketitle
+%\maketitle
+\begin{center}
+{\bf First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon}\\[0.2cm]
+{\small
+\textsc{F. Zirkelbach,
+ B. Stritzker,
+ K. Nordlund,
+ W. G. Schmidt,
+ E. Rauls,
+ J. K. N. Lindner}
+}
+\end{center}
 
 \begin{figure}[h!]
 \begin{minipage}{0.49\textwidth}
 \centering
-\includegraphics[width=0.95\textwidth]{pssc_cover_02}\\
+\includegraphics[width=0.99\textwidth]{pssc_cover_02}
+\end{minipage}
+\begin{minipage}{0.49\textwidth}
+\centering
+\includegraphics[width=0.99\textwidth]{pssc_cover_01}
+\end{minipage}\\[0.1cm]
+\begin{minipage}{0.49\textwidth}
+\centering
+\includegraphics[width=0.99\textwidth]{pssc_cover_02_bold}
 \end{minipage}
 \begin{minipage}{0.49\textwidth}
 \centering
-\includegraphics[width=0.95\textwidth]{pssc_cover_01}\\
+\includegraphics[width=0.99\textwidth]{pssc_cover_01_bold}
 \end{minipage}
 \caption*{
-The cover page shows an initial C-Si \hkl[0 0 -1] dumbbell configuration in bulk Si (top left) emerging into a Si-Si \hkl[1 1 0] split interstitial configuration located next to a lattice site that is substitutionally occupied by a C atom (bottom right).
+The cover page shows an initial C-Si \hkl[0 0 -1] dumbbell configuration in bulk Si (top left) changing into a Si-Si \hkl[1 1 0] split interstitial configuration located next to a lattice site that is substitutionally occupied by a C atom (bottom right).
 First-principles total energy calculations describing the energetics of this transition (front left) reveal a diffusion barrier of no more than \unit[0.8]{eV} for the deviation out of the ground-state configuration.
-And indeed, in large systems consisting of six thousand C atoms incorporated into a Si host of a quater of a million atoms, these transitions can be observed with increasing temperature as can be seen within the shaded regions of the radial distribution function of Si-C bonds (rear right) obtained by large-scale empirical potential molecular dynamics simulations.
-These results suggest an important role of substitutionally incorporated C in the silicon carbide precipitation process at elevated temperatures or for from equilibrium.
+And indeed, in large systems consisting of six thousand C atoms incorporated into a Si host of a quater of a million of atoms, these transitions can be observed with increasing temperature as can be seen within the shaded regions of the radial distribution function of Si-C bonds (rear right) obtained by large-scale empirical potential molecular dynamics simulations.
+These results suggest an important role of substitutionally incorporated C in the silicon carbide precipitation process at elevated temperatures or far from equilibrium.
 }
 \end{figure}