From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Tue, 15 Jun 2010 16:47:06 +0000 (+0200)
Subject: changed colors in 110 mig (vasp)
X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=34800efb3c8ec996b71bfa715679d90283b03828;p=lectures%2Flatex.git

changed colors in 110 mig (vasp)
---

diff --git a/posic/thesis/defects.tex b/posic/thesis/defects.tex
index d98c843..a653c44 100644
--- a/posic/thesis/defects.tex
+++ b/posic/thesis/defects.tex
@@ -473,7 +473,7 @@ This is supported by the charge density isosurface and the Kohn-Sham levels in f
 The blue torus, reinforcing the assumption of the p orbital, illustrates the resulting spin up electron density.
 In addition, the energy level diagram shows a net amount of two spin up electrons.
 
-\section[Migration of the carbon \hkl<1 0 0> interstitial]{Migration of the carbon \boldmath\hkl<1 0 0> interstitial}
+\section{Migration of the carbon interstitials}
 \label{subsection:100mig}
 
 In the following the problem of interstitial carbon migration in silicon is considered.
@@ -676,7 +676,7 @@ In addition the bond-ceneterd configuration, for which spin polarized calculatio
 %\includegraphics[width=2.2cm]{vasp_mig/0-10_b.eps}
 %\end{picture}
 \end{center}
-\caption{Migration barriers of the \hkl<1 1 0> dumbbell to bond-centered (red), \hkl<0 0 -1> (green) and \hkl<0 -1 0> (in place, blue) C-Si dumbbell transition.}
+\caption{Migration barriers of the \hkl<1 1 0> dumbbell to bond-centered (blue), \hkl<0 0 -1> (green) and \hkl<0 -1 0> (in place, red) C-Si dumbbell transition.}
 \label{fig:defects:110_mig_vasp}
 \end{figure}
 Further migration pathways in particular those occupying other defect configurations than the \hkl<1 0 0>-type either as a transition state or a final or starting configuration are totally conceivable.
@@ -715,6 +715,7 @@ In any case the barrier obtained is slightly higher, which means that it does no
 The method in which the constraints are only applied to the diffusing C atom and two Si atoms, ... {\color{red}in progress} ...
 
 \subsection{Migration barriers obtained by classical potential calculations}
+\label{subsection:defects:mig_classical}
 
 The same method for obtaining migration barriers and the same suggested pathways are applied to calculations employing the classical Erhard/Albe potential.
 Since the evaluation of the classical potential and force is less computationally intensive higher amounts of steps can be used.