X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Fthesis%2Fsummary_outlook.tex;h=8b6a6db6a166f669b24f762b35998f7b608be3e7;hp=84d10f5434bcb1f5e89aa180223debf9e35e121e;hb=ec406716f5dd60384a4b670abdd1f712ef3c8207;hpb=0bcb803ceeceac852352af7809e2c88fa3d50860 diff --git a/posic/thesis/summary_outlook.tex b/posic/thesis/summary_outlook.tex index 84d10f5..8b6a6db 100644 --- a/posic/thesis/summary_outlook.tex +++ b/posic/thesis/summary_outlook.tex @@ -32,7 +32,7 @@ The actual structure is equal to the tetrahedral configuration, which is slightl Variations exist with displacements along two or a single \hkl<1 0 0> direction indicating a potential artifact. However, finite temperature simulations are not affected by this artifact due to a low activation energy necessary for a transition into the energetically more favorable tetrahedral configuration. Next to the known problem of the underestimated formation energy of the tetrahedral configuration \cite{tersoff90}, the energetic sequence of the defect structures is well reproduced by the EA calculations. -Migration barriers of \si{} investigated by quantum-mechanical calculations are found to be of the same order of magnitude than values derived in other ab initio studies \cite{bloechl93,sahli05}. +Migration barriers of \si{} investigated by quantum-mechanical calculations are found to be of the same order of magnitude than values derived in other {\em ab initio} studies \cite{bloechl93,sahli05}. Defects of C in Si are well described by both methods. The \ci{} \hkl<1 0 0> DB is found to constitute the most favorable interstitial configuration in agreement with several theoretical \cite{burnard93,leary97,dal_pino93,capaz94,jones04} and experimental \cite{watkins76,song90} investigations.