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-\section{Quantum-mechanical investigations of defect combinations and related diffusion processes}
-\label{sec:qm}
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-Qm stuff ... more accurate, less efficient ... some small probs that ...
-or in intro ...
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-\subsection{Mobility of silicon defects}
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-% todo- where to put mobility
-Concerning the mobility of the ground state Si$_{\text{i}}$, an activation energy of \unit[0.67]{eV} for the transition of the Si$_{\text{i}}$ \hkl[0 1 -1] to \hkl[1 1 0] DB located at the neighbored Si lattice site in \hkl[1 1 -1] direction is obtained by first-principles calculations.
-Further quantum-mechanical investigations revealed a barrier of \unit[0.94]{eV} for the Si$_{\text{i}}$ \hkl[1 1 0] DB to Si$_{\text{i}}$ H, \unit[0.53]{eV} for the Si$_{\text{i}}$ \hkl[1 1 0] DB to Si$_{\text{i}}$ T and \unit[0.35]{eV} for the Si$_{\text{i}}$ H to Si$_{\text{i}}$ T transition.
-These are of the same order of magnitude than values derived from other ab initio studies\cite{bloechl93,sahli05}.
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