From: hackbard Date: Wed, 12 Jul 2006 16:18:34 +0000 (+0000) Subject: more theory X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;h=71d8ad22f7c8fd77cc86c966aa209d5cd4c14ac0;p=lectures%2Flatex.git more theory --- 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}) ] diff --git a/posic/thesis/literature.tex b/posic/thesis/literature.tex index 002da01..454bacb 100644 --- a/posic/thesis/literature.tex +++ b/posic/thesis/literature.tex @@ -14,7 +14,19 @@ \bibitem{stillinger_weber} F. H. Stillinger, T. A. Weber. Phys. Rev. B 31 (1985) 5262. - \bibitem{tersoff1} + \bibitem{tersoff_silicon1} + J. Tersoff. + Phys. Rev. Lett. 56 (1986) 632. + \bibitem{tersoff_silicon2} + J. Tersoff. + Phys. Rev. B 37 (1988) 6991. + \bibitem{tersoff_silicon3} + J. Tersoff. + Phys. Rev. B 38 (1988) 9902. + \bibitem{tersoff_carbon} + J. Tersoff. + Phys. Rev. Lett. 61 (1988) 2879. + \bibitem{tersoff_multi} J. Tersoff. Phys. Rev. B 39 (1989) 5566. \bibitem{example}