checkin before bball

diff --git a/posic/talks/upb-ua-xc.tex b/posic/talks/upb-ua-xc.tex
index 906a0027f35a3f8b00ac31fe799dc6cd3180ee05..bdab50796cc6562a41bb5a73e6214312466b20a3 100644 (file)
--- a/posic/talks/upb-ua-xc.tex
+++ b/posic/talks/upb-ua-xc.tex
@@ -1999,10 +1999,9 @@ $z,x'$-axis rotation: $45.0^{\circ}$, $0.0^{\circ}$
  \includegraphics[width=3cm]{si_pd_vasp/vac_2333.eps}\\
  \underline{\hkl<1 1 0> interstitial}
  \begin{itemize}
-  \item $E_{\text{f}}=3.63\text{ eV}$
+  \item $E_{\text{f}}=3.39\text{ eV}$
  \end{itemize}
- %\includegraphics[width=3cm]{si_pd_vasp/vac_2333.eps}
- in progress
+ \includegraphics[width=3cm]{si_pd_vasp/110_2333.eps}
  \end{minipage}
  \begin{minipage}{4.5cm}
  \begin{center}
@@ -2012,14 +2011,65 @@ $z,x'$-axis rotation: $45.0^{\circ}$, $0.0^{\circ}$
  \end{minipage}
  \begin{minipage}{4.5cm}
  \begin{center}
- %\includegraphics[height=8cm]{si_pd_vasp/vac_2333_ksl.ps}
- in progress
+ \includegraphics[height=8cm]{si_pd_vasp/110_2333_ksl.ps}
  {\scriptsize \hkl<1 1 0> interstitial}
  \end{center}
  \end{minipage}
 
 \end{slide}
 
+\begin{slide}
+
+ {\large\bf\boldmath
+  Silicon point defects
+ }
+
+ \begin{minipage}{3.1cm}
+ \underline{Hexagonal}
+ \begin{itemize}
+  \item $E_{\text{f}}=3.42\text{ eV}$
+ \end{itemize}
+ \includegraphics[width=3cm]{si_pd_vasp/hex_2333.eps}\\
+ \underline{Tetrahedral}
+ \begin{itemize}
+  \item $E_{\text{f}}=3.77\text{ eV}$
+ \end{itemize}
+ \includegraphics[width=3cm]{si_pd_vasp/tet_2333.eps}
+ \end{minipage}
+ \begin{minipage}{3.7cm}
+ \begin{center}
+ \includegraphics[height=8cm]{si_pd_vasp/hex_2333_ksl.ps}\\
+ {\scriptsize Hexagonal}
+ \end{center}
+ \end{minipage}
+ \begin{minipage}{3.7cm}
+ \begin{center}
+ \includegraphics[height=8cm]{si_pd_vasp/tet_2333_ksl.ps}
+ {\scriptsize Tetrahedral}
+ \end{center}
+ \end{minipage}
+ \begin{minipage}[c]{0.1cm}
+ \hfill
+ \end{minipage}
+ \begin{minipage}[c]{1.9cm}
+{\tiny
+\underline{Energy - Occup.}\\
+5.5063 - 0.32840\\
+5.5064 - 0.32793\\
+5.5064 - 0.32764\\
+5.5777 - 0.00691\\
+5.5777 - 0.00691\\
+5.6031 - 0.00074\\
+5.6031 - 0.00074\\
+5.6035 - 0.00071\\
+5.6357 - 0.00002\\
+5.6453 - 0.00001\\
+5.6453 - 0.00001
+}
+ \end{minipage}
+
+\end{slide}
+
 \begin{slide}
 
  {\large\bf\boldmath
@@ -2156,22 +2206,63 @@ $z,x'$-axis rotation: $45.0^{\circ}$, $0.0^{\circ}$
  \hline
  & 2 & 3 & 4 \\
  \hline
-\hkl<0 0 -1> & 6.23 & 5.16 & \\
+\hkl<0 0 -1> & 6.23 & 5.16 & 6.23 \\
  \hline
-\hkl<0 0 1> & 6.64 & 6.31 & \\
+\hkl<0 0 1> & 6.64 & 6.31 & ... \\
  \hline
-\hkl<1 0 0> & 4.06 & 6.13 & \\
+\hkl<1 0 0> & 4.06 & 6.13 & ... \\
  \hline
-\hkl<-1 0 0> & - & 4.41 & \\
+\hkl<-1 0 0> & as \hkl<0 -1 0> & 4.41 & ... \\
  \hline
-\hkl<0 1 0> & -  & 5.95 & \\
+\hkl<0 1 0> & as \hkl<1 0 0> & 5.95 & as \hkl<-1 0 0> \\
  \hline
-\hkl<0 -1 0> & 3.92 & ... & \\
+\hkl<0 -1 0> & 3.92 & ... & as \hkl<1 0 0>\\
  \hline
  \end{tabular}
 
 \end{slide}
 
+\begin{slide}
+
+ {\large\bf
+  Brainstorming: Point defects in Si (as grown and as implanted)
+ }
+
+ \small
+
+ Supercell size: $2$ - $2000 \cdot 10^{-21}\text{ cm}^3$
+
+ \underline{After crystal growth}
+ \begin{itemize}
+  \item Si point defects at $450\, ^{\circ}\text{C}$
+        \begin{itemize}
+         \item Interstitials:
+         \item Vacancies: 
+        \end{itemize}
+  \item C impurities: $10^{17}\text{ cm}^{-3}$\\
+        $\Rightarrow$ $10^{-4}$ -- $10^{-1}$ per sc
+        $\rightarrow$ neglected in simulations
+ \end{itemize}
+
+ \underline{After/during implantation}
+ \begin{itemize}
+  \item Si point defects\\
+        $E_{\text{d}}^{\text{av}}=35\text{ eV}$,
+        $D_{\text{imp}}=1\text{ -- }4 \cdot 10^{17}\text{ cm }^{-2}$,
+        $d_{\text{sc}}=3\text{ -- }30\cdot 4.38\text { \AA}$,
+        $A=(3\text{ -- }30\text{ \AA})^2$,\\
+        Amount of collisions with $\Delta E > E_{\text{d}}$
+        in depth region $[h,h+d_{\text{sc}}]$: $n=$ .. (SRIM)\\
+        $\Rightarrow N_{\text{FP}}=nAD$
+  \item C point defects
+        \begin{itemize}
+         \item Substitutional C: ...
+         \item Intesrtitial C: ...
+        \end{itemize}
+ \end{itemize}
+ 
+\end{slide}
+
 \begin{slide}
 
  {\large\bf