\documentclass[a4paper,11pt]{article}
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\usepackage[english,german]{babel}
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\usepackage{amsmath}
\usepackage{ae}
\usepackage{aecompl}
\usepackage[dvips]{graphicx}
\graphicspath{{./}}
\usepackage{color}
\usepackage{pstricks}
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% miller
\usepackage{miller}

% smaller captions ...
\usepackage[small,bf]{caption}

% units
\usepackage{units}

% shortcuts
\newcommand{\si}{Si$_{\text{i}}${}}
\newcommand{\ci}{C$_{\text{i}}${}}
\newcommand{\cs}{C$_{\text{s}}${}}
\newcommand{\degc}[1]{\unit[#1]{$^{\circ}$C}{}}
\newcommand{\degk}[1]{\unit[#1]{K}{}}
\newcommand{\distn}[1]{\unit[#1]{nm}{}}
\newcommand{\dista}[1]{\unit[#1]{\AA}{}}
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% author & title
\author{F. Zirkelbach,
 B. Stritzker,
 K. Nordlund,
 W. G. Schmidt,
 E. Rauls,
 J. K. N. Lindner
}
\title{First-principles and empirical potential simulation study of intrinsic
       and carbon-related defects in silicon}

\begin{document}

\selectlanguage{english}

%\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=0.99\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=0.99\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) 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 (bottom 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 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 (top 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}

\end{document}
