X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=posic%2Ftalks%2Fdpg_2008.tex;h=5349eac542dd8b8afd6ffa09fdb8e8ddd6cb642a;hb=49f1ea0ef08a54fb99739f04a420e689daef7c4f;hp=5bc70e64073c86ab00d93b330646960d123f2bc8;hpb=47c75dbe6e5de9b8268c46624ab7e599b2dbd8bb;p=lectures%2Flatex.git

diff --git a/posic/talks/dpg_2008.tex b/posic/talks/dpg_2008.tex
index 5bc70e6..5349eac 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}
@@ -135,7 +138,7 @@
   \item Results gained by simulation
         \begin{itemize}
          \item Interstitials in silicon
-         \item $SiC$-precipitation experiments
+         \item SiC-precipitation experiments
 	\end{itemize}
   \item Conclusion / Outlook
  \end{itemize}
@@ -183,9 +186,11 @@
  \end{minipage}
 
  \begin{center}
- \[5a_{SiC}=4a_{Si} \quad \Rightarrow \quad
+ \[
+   \textrm{Silicon density: } \quad
+   5a_{SiC}=4a_{Si} \quad \Rightarrow \quad
    \frac{n_{SiC}}{n_{Si}}=\frac{\frac{4}{a_{SiC}^3}}{\frac{8}{a_{Si}^3}}=
-                          \frac{5^3}{2\cdot4^3}=97,66\%
+                          \frac{5^3}{2\cdot4^3}={\color{cyan}97,66}\,\%
  \]
  \end{center}
 
@@ -232,21 +237,32 @@
   Simulation details
  }
 
+ \vspace{20pt}
+
  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 $(0,0,0)$ (tetrahedral)
-         \item $(-1/8,-1/8,1/8)$ (hexagonal)
-         \item $(-1/8,-1/8,-1/4)$, $(-1/4,-1/4,-1/4)$ (110 dumbbell)
+         \item $(0,0,0)$ $\rightarrow$ {\color{red}tetrahedral}
+         \item $(-1/8,-1/8,1/8)$ $\rightarrow$ {\color{green}hexagonal}
+         \item $(-1/8,-1/8,-1/4)$, $(-1/4,-1/4,-1/4)$
+	       $\rightarrow$ {\color{yellow}110 dumbbell}
 	 \item random positions (critical distance check)
 	\end{itemize}
   \item Relaxation time: $2\, ps$
+  \item Optional heating-up 
  \end{itemize}
 
+ \begin{picture}(0,0)(-210,-85)
+  \includegraphics[width=6cm]{unit_cell.eps}
+ \end{picture}
+
 \end{slide}
 
 \begin{slide}
@@ -255,6 +271,8 @@
   Simulation details
  }
 
+ \small
+
  SiC precipitation experiments:
  \begin{itemize}
   \item Initial configuration: $31\times31\times31$ unit cells Si
@@ -274,11 +292,73 @@
 	\end{itemize}
  \end{itemize}
 
- 3 szenarios
+ Szenarios:
+ \begin{enumerate}
+  \item $V_{ins}$: total simulation volume $V$
+  \item $V_{ins}$: $12\times12\times12$ SiC unit cells
+                   ($\sim$ volume of minimal SiC precipitation)
+  \item $V_{ins}$: $9\times9\times9$ SiC unit cells
+                   ($\sim$ volume of necessary amount of Si)
+ \end{enumerate}
+
+\end{slide}
+
+\begin{slide}
+
+ {\large\bf
+  Results
+ }
+
+ Si self-interstitial experiments:
+
+ {\footnotesize
+ {\bf Note:}
  \begin{itemize}
-  \item $V_ins$: total volume $V$
-  \item $V_ins$: 
+  \item $r_{cutoff}^{Si-Si}=2.96>\frac{5.43}{2}$
+  \item Bond length near $r_{cutoff} \Rightarrow$ small bond strength
  \end{itemize}
+ }
+
+ \vspace{8pt}
+
+ \small
+
+ \begin{minipage}[t]{4.0cm}
+ \underline{Tetrahedral}
+ \begin{itemize}
+  \item $E_F=3.41\, eV$
+  \item essentialy tetrahedral\\
+        bonds
+ \end{itemize}
+ \end{minipage}
+ \hspace{0.3cm}
+ \begin{minipage}[t]{4.0cm}
+ \underline{110 dumbbell}
+ \begin{itemize}
+  \item $E_F=4.39\, eV$
+  \item essentially 4 bonds
+ \end{itemize}
+ \end{minipage}
+ \hspace{0.3cm}
+ \begin{minipage}[t]{4.0cm}
+ \underline{Hexagonal}
+ \begin{itemize}
+  \item $E_F^{\star}=4.48\, eV$
+  \item unstable!
+ \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}
 
@@ -288,6 +368,14 @@
   Results
  }
 
+ \vspace{8pt}
+
+ Si self-interstitial \underline{random insertion} experiments:
+
+ \vspace{8pt}
+
+ foo
+
 \end{slide}
 
 \begin{slide}
@@ -296,6 +384,48 @@
   Results
  }
 
+ Carbon interstitial experiments:
+
+ \vspace{8pt}
+
+ \small
+
+ \begin{minipage}[t]{4.0cm}
+ \underline{Tetrahedral}
+ \begin{itemize}
+  \item $E_F=2.67\, eV$
+  \item tetrahedral bond
+ \end{itemize}
+ \end{minipage}
+ \hspace{0.3cm}
+ \begin{minipage}[t]{4.0cm}
+ \underline{110 dumbbell}
+ \begin{itemize}
+  \item $E_F=1.76\, eV$
+  \item C forms 3 bonds
+ \end{itemize}
+ \end{minipage}
+ \hspace{0.3cm}
+ \begin{minipage}[t]{4.0cm}
+ \underline{Hexagonal}
+ \begin{itemize}
+  \item $E_F\sim5.6\, eV$
+  \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]{c_in_si_int_hexa_0.eps}
+ \end{minipage}
+
 \end{slide}
 
 \begin{slide}
@@ -304,6 +434,14 @@
   Results
  }
 
+ \vspace{8pt}
+
+ Carbon \underline{random insertion} experiments:
+
+ \vspace{8pt}
+
+ bar
+
 \end{slide}
 
 \begin{slide}
@@ -312,6 +450,8 @@
   Results
  }
 
+ SiC-precipitation experiments:
+
 \end{slide}
 
 \begin{slide}
@@ -322,6 +462,5 @@
 
 \end{slide}
 
-
 \end{document}