From: hackbard Date: Sat, 22 Sep 2012 14:37:24 +0000 (+0200) Subject: finished cover txt for pscc X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=f6a07df1ce93accb8f6c82455f13ef7b4160bd7d;p=lectures%2Flatex.git finished cover txt for pscc --- diff --git a/posic/cover/pssc_cover.tex b/posic/cover/pssc_cover.tex index b235e2c..ed17565 100644 --- 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}