X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Fthesis%2Fbasics.tex;h=1dbe1c0de4000f5bfee5a3eb7c17ab41629cffc3;hp=8cf717b3b85558fb00889e4ca60f1c1ceaaa847e;hb=71d8ad22f7c8fd77cc86c966aa209d5cd4c14ac0;hpb=9761bf24f47daee3d2c82f870321bddbab0e32f4 diff --git a/posic/thesis/basics.tex b/posic/thesis/basics.tex index 8cf717b..1dbe1c0 100644 --- a/posic/thesis/basics.tex +++ b/posic/thesis/basics.tex @@ -135,7 +135,14 @@ h(r_{ij},r_{ik},\theta_{jik}) = \subsubsection{The Tersoff potential} -Ther Tersoff potential \cite{tersoff1} \ldots +Tersoff proposed an empirical interatomic potential for covalent systems. +The Tersoff potential explicitly incorporates the dependence of bond order on local envirenments, permitting an improved description of covalent materials. +Tersoff applied the potential to silicon \cite{tersoff_silicon1,tersoff_silicon2,tersoff_silicon3}, carbon \cite{tersoff_carbon} and also to multicomponent systems like $SiC$ \cite{tersoff_multi}. + +The basic idea is that, in real systems, the bond order depends upon the local environment. +An atom with many neighbours forms weaker bonds than an atom with few neighbours. + + \begin{equation} V_{ij} = f_C(r_{ij}) [ f_R(r_{ij}) + b_{ij} f_A(r_{ij}) ]