From: hackbard Date: Tue, 24 Aug 2010 13:11:44 +0000 (+0200) Subject: more language improvements X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;h=5610e98752bd0314add7aad98943534069e038f7;p=lectures%2Flatex.git more language improvements --- diff --git a/posic/publications/c_defects_in_si.tex b/posic/publications/c_defects_in_si.tex index e20a732..40aa9ee 100644 --- a/posic/publications/c_defects_in_si.tex +++ b/posic/publications/c_defects_in_si.tex @@ -251,11 +251,12 @@ Already the geometry of the most stable dumbbell configuration differs considera The classical approach is unable to reproduce the correct character of bonding due to the deficiency of quantum-mechanical effects in the potential. %ref mod: language - energy / order %Nevertheless, both methods predict the same type of interstitial as the ground state configuration, and also the order in energy of the remaining defects is reproduced fairly well. -Nevertheless, both methods predict the same type of interstitial as the ground state configuration, and also the relative energies of the remaining defects are reproduced fairly well. +Nevertheless, both methods predict the same type of interstitial as the ground state configuration. +Furthermore, the relative energies of the other defects are reproduced fairly well. From this, a description of defect structures by classical potentials looks promising. % ref mod: language - changed %However, focussing on the description of diffusion processes the situation is changing completely. -However, focussing on the description of diffusion processes the situation is changed completely. +However, focussing on the description of diffusion processes the situation has changed completely. Qualitative and quantitative differences exist. First of all, a different pathway is suggested as the lowest energy path, which again might be attributed to the absence of quantum-mechanical effects in the classical interaction model. Secondly, the activation energy is overestimated by a factor of 2.4 compared to the more accurate quantum-mechanical methods and experimental findings. @@ -274,7 +275,7 @@ Classical potentials, however, fail to describe the selected processes. This has been shown to have two reasons, i.e. the overestimated barrier of migration due to the artificial interaction cut-off on the one hand, and on the other hand the lack of quantum-mechanical effects which are crucial in the problem under study. % ref mod: language - being investigated %In order to get more insight on the SiC precipitation mechanism, further ab initio calculations are currently investigated. -In order to get more insight on the SiC precipitation mechanism, further ab initio calculations are currently being investigated. +In order to get more insight on the SiC precipitation mechanism, further ab initio calculations are currently being performed. % ---------------------------------------------------- \section*{Acknowledgment}