From: hackbard Date: Tue, 8 Nov 2011 10:16:15 +0000 (+0100) Subject: security checkin X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=3ff22001d1236946bef7066fd3bbd27758348fd7;p=lectures%2Flatex.git security checkin --- diff --git a/posic/talks/mpi_app.tex b/posic/talks/mpi_app.tex index 687e0ca..b782948 100644 --- a/posic/talks/mpi_app.tex +++ b/posic/talks/mpi_app.tex @@ -1322,9 +1322,6 @@ $E_{\text{f}}=5.18\text{ eV}$\\ \end{slide} -% continue here -\fi - \begin{slide} \headphd @@ -1366,7 +1363,7 @@ $\Rightarrow$ $sp^2$ hybridization \begin{flushright} {\bf Bond-centered interstitial}\\[0.1cm] \begin{minipage}{4.4cm} -\scriptsize +%\scriptsize \begin{itemize} \item Linear Si-C-Si bond \item Si: one C \& 3 Si neighbours @@ -1376,7 +1373,9 @@ $\Rightarrow$ $sp^2$ hybridization \end{itemize} \end{minipage} \begin{minipage}{2.7cm} -\includegraphics[width=2.8cm]{c_pd_vasp/bc_2333.eps}\\ +%\includegraphics[width=2.8cm]{c_pd_vasp/bc_2333.eps}\\ +\vspace{0.2cm} +\includegraphics[width=2.8cm]{c_pd_albe/bc_bonds.eps}\\ \end{minipage} \framebox{ @@ -1436,9 +1435,9 @@ $\Rightarrow$ $sp^2$ hybridization }\\[0.4cm] %\framebox{ -\begin{minipage}{2.8cm} -\scriptsize -Charge density\\ +\begin{minipage}{3.0cm} +%\scriptsize +\underline{Charge density}\\ {\color{gray}$\bullet$} Spin up\\ {\color{green}$\bullet$} Spin down\\ {\color{blue}$\bullet$} Resulting spin up\\ @@ -1453,81 +1452,85 @@ Charge density\\ \end{flushright} \end{minipage} +\begin{pspicture}(0,0)(0,0) +\psline[linecolor=gray,linewidth=0.05cm](-7.8,-8.7)(-7.8,0) +\end{pspicture} \end{slide} -\end{document} -\ifnum1=0 +% continue here +\fi \begin{slide} - {\large\bf\boldmath - Migration of the C \hkl<1 0 0> dumbbell interstitial - } +\headphd +{\large\bf\boldmath + C interstitial migration --- ab initio +} \scriptsize - {\small Investigated pathways} +\vspace{0.1cm} -\begin{minipage}{8.5cm} -\begin{minipage}{8.3cm} -\underline{\hkl<0 0 -1> $\rightarrow$ \hkl<0 0 1>}\\ -\begin{minipage}{2.4cm} -\includegraphics[width=2.4cm]{c_pd_vasp/100_2333.eps} +\begin{minipage}{6.8cm} +\underline{\hkl[0 0 -1] $\rightarrow$ \hkl[0 0 1]}\\ +\begin{minipage}{2.0cm} +\includegraphics[width=2.0cm]{c_pd_vasp/100_2333.eps} \end{minipage} -\begin{minipage}{0.4cm} +\begin{minipage}{0.2cm} $\rightarrow$ \end{minipage} -\begin{minipage}{2.4cm} -\includegraphics[width=2.4cm]{c_pd_vasp/bc_2333.eps} +\begin{minipage}{2.0cm} +\includegraphics[width=2.0cm]{c_pd_vasp/bc_2333.eps} \end{minipage} -\begin{minipage}{0.4cm} +\begin{minipage}{0.2cm} $\rightarrow$ \end{minipage} -\begin{minipage}{2.4cm} -\includegraphics[width=2.4cm]{c_pd_vasp/100_next_2333.eps} -\end{minipage} -\end{minipage}\\ -\begin{minipage}{8.3cm} +\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\\ +$\Rightarrow$ 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}\\[0.4cm] +% +\begin{minipage}{6.8cm} \underline{\hkl<0 0 -1> $\rightarrow$ \hkl<0 -1 0>}\\ -\begin{minipage}{2.4cm} -\includegraphics[width=2.4cm]{c_pd_vasp/100_2333.eps} -\end{minipage} -\begin{minipage}{0.4cm} -$\rightarrow$ -\end{minipage} -\begin{minipage}{2.4cm} -\includegraphics[width=2.4cm]{c_pd_vasp/00-1-0-10_2333.eps} -\end{minipage} -\begin{minipage}{0.4cm} -$\rightarrow$ -\end{minipage} -\begin{minipage}{2.4cm} -\includegraphics[width=2.4cm]{c_pd_vasp/0-10_2333.eps} -\end{minipage} -\end{minipage}\\ -\begin{minipage}{8.3cm} -\underline{\hkl<0 0 -1> $\rightarrow$ \hkl<0 -1 0> (in place)}\\ -\begin{minipage}{2.4cm} -\includegraphics[width=2.4cm]{c_pd_vasp/100_2333.eps} +\begin{minipage}{2.0cm} +\includegraphics[width=2.0cm]{c_pd_vasp/100_2333.eps} \end{minipage} -\begin{minipage}{0.4cm} +\begin{minipage}{0.2cm} $\rightarrow$ \end{minipage} -\begin{minipage}{2.4cm} -\includegraphics[width=2.4cm]{c_pd_vasp/00-1_ip0-10_2333.eps} +\begin{minipage}{2.0cm} +\includegraphics[width=2.0cm]{c_pd_vasp/00-1-0-10_2333.eps} \end{minipage} -\begin{minipage}{0.4cm} +\begin{minipage}{0.2cm} $\rightarrow$ \end{minipage} -\begin{minipage}{2.4cm} -\includegraphics[width=2.4cm]{c_pd_vasp/0-10_ip_2333.eps} -\end{minipage} -\end{minipage} -\end{minipage} +\begin{minipage}{2.0cm} +\includegraphics[width=2.0cm]{c_pd_vasp/0-10_2333.eps} +\end{minipage}\\[0.1cm] +$\Delta E=\unit[0.9]{eV}$ | Experimental values: \unit[0.70--0.87]{eV}\\ +$\Rightarrow$ {\color{red}Migration mechanism identified!}\\ +Note: Change in orientation +\end{minipage} +\begin{minipage}{5.4cm} +\includegraphics[width=6.0cm]{00-1_0-10_vasp_s.ps} +\end{minipage}\\[0.2cm] +% +\begin{center} +Reorientation pathway composed of two consecutive processes of the above type +\end{center} \end{slide} +\end{document} +\ifnum1=0 + \begin{slide} {\large\bf\boldmath