ab initio single defect migration

[lectures/latex.git] / posic / thesis / intro.tex

diff --git a/posic/thesis/intro.tex b/posic/thesis/intro.tex
index 4c7cf97..f859a23 100644 (file)
--- a/posic/thesis/intro.tex
+++ b/posic/thesis/intro.tex
@@ -22,7 +22,7 @@ Si self-interstitials (Si$_{\text{i}}$), known as the transport vehicles for dop
 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.
+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 modeling of increasingly complex systems.
 Atomistic simulations offer a powerful 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.
@@ -31,6 +31,7 @@ In chapter \ref{chapter:sic_rev} a review of the Si/C compound is given includin
 Chapter \ref{chapter:basics} introduces some basics and internals of the utilized atomistic simulations as well as special methods of application.
 Details of the simulation and associated test calculations are presented in chapter \ref{chapter:simulation}.
 In chapter \ref{chapter:defects} results of investigations of single defect configurations, structures of comnbinations of two individual defects as well as some selected diffusion pathways in silicon are shown.
+These allow to draw conclusions with respect to the SiC precipitation mechanism in Si.
 More complex systems aiming to model the transformation of C incorporated in bulk Si into a SiC nucleus are examined in chapter \ref{chapter:md}.
 Finally a summary and some concluding remarks are given in chapter \ref{chapter:summary}.