X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=posic%2Ftalks%2Fdpg_2008.tex;h=1f6bce4cc820951f3fb19b86d22b89e49661f974;hb=aa5433fe4c9c534360371ed7489d64c3f9e22c3f;hp=42a2415d535f75b2076925b21b8118339bc387b9;hpb=9e37e4e1e7789cc9ab7898066f66dd8a879f0a11;p=lectures%2Flatex.git diff --git a/posic/talks/dpg_2008.tex b/posic/talks/dpg_2008.tex index 42a2415..1f6bce4 100644 --- a/posic/talks/dpg_2008.tex +++ b/posic/talks/dpg_2008.tex @@ -48,6 +48,9 @@ \newcommand{\foo}{\mathcal{U}} \newcommand{\vir}{\mathcal{W}} +% itemize level ii +\renewcommand\labelitemii{{\color{gray}$\bullet$}} + % topic \begin{slide} @@ -232,22 +235,31 @@ Simulation details } + \vspace{16pt} + Interstitial experiments: + + \vspace{12pt} + \begin{itemize} \item Initial configuration: $9\times9\times9$ unit cells Si \item Periodic boundary conditions \item $T=0 \, K$ \item Insertion of Si / C atom at \begin{itemize} - \item $(0,0,0)$ $\rightarrow$ tetrahedral - \item $(-1/8,-1/8,1/8)$ $\rightarrow$ hexagonal + \item $(0,0,0)$ $\rightarrow$ {\color{red}tetrahedral} + \item $(-1/8,-1/8,1/8)$ $\rightarrow$ {\color{green}hexagonal} \item $(-1/8,-1/8,-1/4)$, $(-1/4,-1/4,-1/4)$ - $\rightarrow$ 110 dumbbell + $\rightarrow$ {\color{yellow}110 dumbbell} \item random positions (critical distance check) \end{itemize} \item Relaxation time: $2\, ps$ \end{itemize} + \begin{picture}(0,0)(-210,-65) + \includegraphics[width=6cm]{unit_cell.eps} + \end{picture} + \end{slide} \begin{slide} @@ -294,6 +306,48 @@ Results } + Si self-interstitial experiments: + + \vspace{8pt} + + \small + + \begin{minipage}[t]{4.0cm} + \underline{Tetrahedral} + \begin{itemize} + \item $E_F=3.41\, eV$ + \item $r_{cutoff}^{Si-Si}=2.96>\frac{5.43}{2}$ + \end{itemize} + \end{minipage} + \hspace{0.3cm} + \begin{minipage}[t]{4.0cm} + \underline{110 dumbbell} + \begin{itemize} + \item $E_F=4.39\, eV$ + \item Small bond strength + \end{itemize} + \end{minipage} + \hspace{0.3cm} + \begin{minipage}[t]{4.0cm} + \underline{Hexagonal} + \begin{itemize} + \item $E_F=4.48\, eV$ + \item unstable for $T\ne 0\,K$ + \end{itemize} + \end{minipage} + + \vspace{8pt} + + \begin{minipage}{4.3cm} + \includegraphics[width=3.8cm]{si_self_int_tetra_0.eps} + \end{minipage} + \begin{minipage}{4.3cm} + \includegraphics[width=3.8cm]{si_self_int_dumbbell_0.eps} + \end{minipage} + \begin{minipage}{4.3cm} + \includegraphics[width=3.8cm]{si_self_int_hexa_0.eps} + \end{minipage} + \end{slide} \begin{slide} @@ -310,6 +364,45 @@ Results } + Carbon interstitial experiments: + + \vspace{8pt} + + \small + + \begin{minipage}[t]{4.0cm} + \underline{Tetrahedral} + \begin{itemize} + \item $E_F=2.67\, eV$ + \end{itemize} + \end{minipage} + \hspace{0.3cm} + \begin{minipage}[t]{4.0cm} + \underline{110 dumbbell} + \begin{itemize} + \item $E_F=1.76\, eV$ + \end{itemize} + \end{minipage} + \hspace{0.3cm} + \begin{minipage}[t]{4.0cm} + \underline{Hexagonal} + \begin{itemize} + \item unstable! + \end{itemize} + \end{minipage} + + \vspace{8pt} + + \begin{minipage}{4.3cm} + \includegraphics[width=3.8cm]{c_in_si_int_tetra_0.eps} + \end{minipage} + \begin{minipage}{4.3cm} + \includegraphics[width=3.8cm]{c_in_si_int_dumbbell_0.eps} + \end{minipage} + \begin{minipage}{4.3cm} + %\includegraphics[width=3.8cm]{si_self_int_hexa_0.eps} + \end{minipage} + \end{slide} \begin{slide} @@ -318,6 +411,8 @@ Results } + SiC-precipitation experiments: + \end{slide} \begin{slide} @@ -328,6 +423,5 @@ \end{slide} - \end{document}