X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Fthesis%2Fbasics.tex;fp=posic%2Fthesis%2Fbasics.tex;h=24b272dfcd9de716e8210c66860bb0793ea1a10d;hp=e23eb3d53f55cd2b860f6c68c502fa9f2d5dbe28;hb=c841381d59f86fe342539b8f335d3691cedb3415;hpb=a3831cc8a0d5bd03cbc1b0907bd11168416fd4b2 diff --git a/posic/thesis/basics.tex b/posic/thesis/basics.tex index e23eb3d..24b272d 100644 --- a/posic/thesis/basics.tex +++ b/posic/thesis/basics.tex @@ -169,7 +169,7 @@ Details of the Tersoff potential derivative are presented in appendix~\ref{app:d Although the Tersoff potential is one of the most widely used potentials, there are some shortcomings. Describing the Si-Si interaction Tersoff was unable to find a single parameter set to describe well both, bulk and surface properties. -Due to this and since the first approach labeled T1~\cite{tersoff_si1} turned out to be unstable~\cite{dodson87}, two further parametrizations exist, T2~\cite{tersoff_si2} and T3~\cite{tersoff_si3}. +Due to this, and since the first approach labeled T1~\cite{tersoff_si1} turned out to be unstable~\cite{dodson87}, two further parametrizations exist, T2~\cite{tersoff_si2} and T3~\cite{tersoff_si3}. While T2 describes well surface properties, T3 yields improved elastic constants and should be used for describing bulk properties. However, T3, which is used in the Si/C potential, suffers from an underestimation of the dimer binding energy. Similar behavior is found for the C-C interaction.