X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Fthesis%2Fdefects.tex;fp=posic%2Fthesis%2Fdefects.tex;h=ec6a210db78fd944243f90aa958b50ee643a6259;hp=32ff82429980a51e651bf6a092223fbc3ad64524;hb=308fce67d5c701822d5cb2d960a056644498cd03;hpb=4c26ce3943e912490d74ffa043fe0f297a02c04b diff --git a/posic/thesis/defects.tex b/posic/thesis/defects.tex index 32ff824..ec6a210 100644 --- a/posic/thesis/defects.tex +++ b/posic/thesis/defects.tex @@ -115,7 +115,7 @@ In Fig.~\ref{fig:defects:kin_si_hex} the relaxation process is shown on the basi \caption{Kinetic energy plot of the relaxation process of the hexagonal silicon self-interstitial defect simulation using the EA potential.} \label{fig:defects:kin_si_hex} \end{figure} -To exclude failures in the implementation of the potential or the MD code itself the hexagonal defect structure was double-checked with the \textsc{parcas} MD code~\cite{parcas_md}. +To exclude failures in the implementation of the potential or the MD code itself, the hexagonal defect structure was double-checked with the \textsc{parcas} MD code~\cite{parcas_md}. The respective relaxation energetics are likewise plotted and look similar to the energetics obtained by \textsc{posic}. In fact, the same type of interstitial arises using random insertions. In addition, variations exist, in which the displacement is only along two \hkl<1 0 0> axes ($E_\text{f}=3.8\,\text{eV}$) or along a single \hkl<1 0 0> axes ($E_\text{f}=3.6\,\text{eV}$) successively approximating the tetrahedral configuration and formation energy. @@ -1327,7 +1327,7 @@ In the second case the lowest barrier is found for the migration of Si number 1, A net amount of five Si-Si and one Si-C bond are additionally formed during transition. An activation energy of \unit[0.6]{eV} necessary to overcome the migration barrier is found. This energy is low enough to constitute a feasible mechanism in SiC precipitation. -To reverse this process \unit[5.4]{eV} are needed, which make this mechanism very improbable. +To reverse this process, \unit[5.4]{eV} are needed, which make this mechanism very improbable. % The migration path is best described by the reverse process. Starting at \unit[100]{\%}, energy is needed to break the bonds of Si atom 1 to its neighbored Si atoms as well as the bond of the C atom to Si atom number 5.