From 92940de7270a1e537755dd580bd1ff8871f18a4a Mon Sep 17 00:00:00 2001 From: hackbard Date: Thu, 5 Jan 2012 21:33:02 +0100 Subject: [PATCH] vor eis --- posic/talks/defense.tex | 10 +++++----- posic/talks/defense.txt | 1 + 2 files changed, 6 insertions(+), 5 deletions(-) diff --git a/posic/talks/defense.tex b/posic/talks/defense.tex index d41cff2..209fbd7 100644 --- a/posic/talks/defense.tex +++ b/posic/talks/defense.tex @@ -966,7 +966,7 @@ $E_{\text{f}}=5.18\text{ eV}$\\ \scriptsize -\vspace{0.2cm} +\vspace{0.3cm} \begin{minipage}{6.8cm} \framebox{\hkl[0 0 -1] $\rightarrow$ \hkl[0 0 1]}\\ @@ -985,14 +985,14 @@ $\rightarrow$ \begin{minipage}{2.0cm} \includegraphics[width=2.0cm]{c_pd_vasp/100_next_2333.eps} \end{minipage}\\[0.1cm] -Spin polarization\\ -$\Rightarrow$ BC configuration constitutes local minimum\\ +Symmetry:\\ +$\Rightarrow$ Sufficient to consider \hkl[00-1] to BC transition\\ $\Rightarrow$ Migration barrier to reach BC | $\Delta E=\unit[1.2]{eV}$ \end{minipage} \begin{minipage}{5.4cm} \includegraphics[width=6.0cm]{im_00-1_nosym_sp_fullct_thesis_vasp_s.ps} %\end{minipage}\\[0.2cm] -\end{minipage}\\[0.3cm] +\end{minipage}\\[0.4cm] %\hrule % \begin{minipage}{6.8cm} @@ -1083,7 +1083,7 @@ Note: Change in orientation \headphd {\large\bf\boldmath - Defect combinations + Defect combinations --- ab inito } \footnotesize diff --git a/posic/talks/defense.txt b/posic/talks/defense.txt index d20c449..7ffca51 100644 --- a/posic/talks/defense.txt +++ b/posic/talks/defense.txt @@ -213,6 +213,7 @@ crossing the bc configuration. due to symmetry it is sufficient to merely consider the migration into the bc configuration. an activation energy of 1.2 eV is obtained. +actually another barrier exists to reach a 100 type configuration. in path two, the carbon atom moves towards the same silicon atom, however, it escapes the 110 plane and forms a 0-10 oriented db. -- 2.39.2