A better understanding of the supposed SiC conversion mechanism and related carbon-mediated effects in silicon will enable significant technological progress in SiC thin film formation on the one hand and likewise offer perspectives for processes which rely upon prevention of precipitation events for improved silicon based devices on the other hand.
Implanted carbon is known to suppress transient enhanced diffusion (TED) of dopant species like boron or phosphorus in the annealing step \cite{cowern96} which can be exploited to create shallow p-n junctions in submicron technologies.
Si self-interstitials (Si$_{\text{i}}$), known as the transport vehicles for dopants \cite{fahey89,stolk95}, get trapped by reacting with the carbon atoms.
-Furthermore, carbon incorporated in silicon is being used to adjust the band gap \cite{soref91,kasper91} and the fabrication of strained silicon \cite{strane94,strane96,osten99} in order to obtain higher charge carrier mobilities \cite{chang05,osten97}.
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-Thus, the understanding of carbon in silicon either as isovalent impurity as well as at concentrations exceeding the solid solubility limit up to the stoichiometric ratio to form silicon carbide is of fundamental interest.
-Atomistic simulations offer
-In particular the last step of the SiC conversion, which cannot
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-Computer simulations ...
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+Furthermore, carbon incorporated in silicon is being used to fabricate strained silicon \cite{strane94,strane96,osten99} utilized in semiconductor industry for increased charge carrier mobilities in silicon \cite{chang05,osten97} as well as to adjust its band gap \cite{soref91,kasper91}.
+Thus the understanding of carbon in silicon either as an isovalent impurity as well as at concentrations exceeding the solid solubility limit up to the stoichiometric ratio to form silicon carbide is of fundamental interest.
+Due to the impressive growth in computer power on the one hand and outstanding progress in the development of new theoretical concepts, algorithms and computational methods on the other hand, computer simulations enable the modelling of increasingly complex systems.
+Atomistic simulations offer a powerfull tool to study materials and molecular systems on a microscopic level providing detailed insight not accessible by experiment.
+The intention of this work is to contribute to the understanding of C in Si by means of atomistic simulations targeted on the task to elucidate the SiC conversion mechanism in silicon.
+The outline of this work is as follows:
In chapter ...
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