X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Ftalks%2Fdefense.tex;h=bfd92d02b17584803e5572eb17ac4fe9f45a1131;hp=b26dd0123756dafebb9549f600f447b86db4c7a2;hb=b72d5fabe9b016843d069c4478310ea67e76fc47;hpb=e08a97849ebaf34c088eef126bf83fa8a4267119

diff --git a/posic/talks/defense.tex b/posic/talks/defense.tex
index b26dd01..bfd92d0 100644
--- a/posic/talks/defense.tex
+++ b/posic/talks/defense.tex
@@ -122,6 +122,7 @@
 
 % layout check
 %\layout
+\ifnum1=0
 \begin{slide}
 \center
 {\Huge
@@ -134,6 +135,7 @@ F\\
 E\\
 }
 \end{slide}
+\fi
 
 % topic
 
@@ -248,6 +250,7 @@ E\\
 
 \begin{slide}
 
+\headphd
  {\large\bf
   Polytypes of SiC\\[0.6cm]
  }
@@ -285,19 +288,17 @@ Thermal conductivity [W/cmK] & 5.0 & 4.9 & 4.9 & 1.5 & 1.3 & 22 \\
 \end{tabular}
 
 \begin{pspicture}(0,0)(0,0)
-\psellipse[linecolor=green](5.7,2.10)(0.4,0.53)
+\psellipse[linecolor=green](5.7,2.05)(0.4,0.50)
 \end{pspicture}
 \begin{pspicture}(0,0)(0,0)
-\psellipse[linecolor=green](5.6,0.92)(0.4,0.23)
+\psellipse[linecolor=green](5.6,0.89)(0.4,0.20)
 \end{pspicture}
 \begin{pspicture}(0,0)(0,0)
-\psellipse[linecolor=red](10.45,0.45)(0.4,0.23)
+\psellipse[linecolor=red](10.45,0.42)(0.4,0.20)
 \end{pspicture}
 
 \end{slide}
 
-%\fi
-
 % fabrication
 
 \begin{slide}
@@ -450,35 +451,10 @@ Synthesis of large area SiC films possible
 
 \end{slide}
 
-%\end{document}
-% temp
-%\ifnum1=0
-
 % contents
 
 \begin{slide}
 
-\headphd
-{\large\bf
- Outline
-}
-
- \begin{itemize}
-  \item Supposed precipitation mechanism of SiC in Si
-  \item Utilized simulation techniques
-        \begin{itemize}
-         \item Molecular dynamics (MD) simulations
-         \item Density functional theory (DFT) calculations
-        \end{itemize}
-  \item C and Si self-interstitial point defects in silicon
-  \item Silicon carbide precipitation simulations
-  \item Summary / Conclusion
- \end{itemize}
-
-\end{slide}
-
-\begin{slide}
-
 \headphd
 {\large\bf
   Supposed precipitation mechanism of SiC in Si
@@ -528,7 +504,7 @@ $\rho^*_{\text{Si}}=\unit[97]{\%}$
  \begin{minipage}{4.0cm}
  \begin{center}
  C-Si dimers (dumbbells)\\[-0.1cm]
- on Si interstitial sites
+ on Si lattice sites
  \end{center}
  \end{minipage}
  \hspace{0.1cm}
@@ -738,6 +714,33 @@ r = \unit[2--4]{nm}
 
 \begin{slide}
 
+\headphd
+{\large\bf
+ Outline
+}
+
+ \begin{itemize}
+  {\color{gray}
+  \item Introduction / Motivation
+  \item Assumed SiC precipitation mechanisms / Controversy
+  }
+  \item Utilized simulation techniques
+        \begin{itemize}
+         \item Molecular dynamics (MD) simulations
+         \item Density functional theory (DFT) calculations
+        \end{itemize}
+  \item Simulation results
+        \begin{itemize}
+         \item C and Si self-interstitial point defects in silicon
+         \item Silicon carbide precipitation simulations
+        \end{itemize}
+  \item Summary / Conclusion
+ \end{itemize}
+
+\end{slide}
+
+\begin{slide}
+
 \headphd
 {\large\bf
  Utilized computational methods
@@ -786,7 +789,7 @@ NpT (isothermal-isobaric) | Berendsen thermostat/barostat\\
 \hrule
 \begin{itemize}
 \item Code: \textsc{vasp}
-\item Plane wave basis set
+\item Plane wave basis set | $E_{\text{cut}}=\unit[300]{eV}$
 %$\displaystyle
 %\Phi_i=\sum_{|G+k|<G_{\text{cut}}} c_{i,k+G} \exp{\left(i(k+G)r\right)}
 %$\\
@@ -2112,11 +2115,6 @@ equilibrium properties
 \begin{itemize}
 \item Stretched coherent SiC structures\\
 $\Rightarrow$ Precipitation process involves {\color{blue}\cs}
-\item Explains annealing behavior of high/low T C implantations
-      \begin{itemize}
-       \item Low T: highly mobile {\color{red}\ci}
-       \item High T: stable configurations of {\color{blue}\cs}
-      \end{itemize}
 \item Role of \si{}
       \begin{itemize}
        \item Vehicle to rearrange \cs --- [\cs{} \& \si{} $\leftrightarrow$ \ci]
@@ -2125,6 +2123,11 @@ $\Rightarrow$ Precipitation process involves {\color{blue}\cs}
              \ldots Si/SiC interface\\
              \ldots within stretched coherent SiC structure
       \end{itemize}
+\item Explains annealing behavior of high/low T C implantations
+      \begin{itemize}
+       \item Low T: highly mobile {\color{red}\ci}
+       \item High T: stable configurations of {\color{blue}\cs}
+      \end{itemize}
 \end{itemize}
 \vspace{0.2cm}
 \centering
@@ -2142,7 +2145,7 @@ High T $\leftrightarrow$ IBS conditions far from equilibrium\\
 
 \end{slide}
 
-% skip high T / C conc ... only here!
+% skip high c conc results
 \ifnum1=0
 
 \begin{slide}
@@ -2153,10 +2156,10 @@ High T $\leftrightarrow$ IBS conditions far from equilibrium\\
 
 \footnotesize
 
-\begin{minipage}{6.5cm}
+\begin{minipage}{6.0cm}
 \includegraphics[width=6.4cm]{12_pc_thesis.ps}
 \end{minipage}
-\begin{minipage}{6.5cm}
+\begin{minipage}{6.0cm}
 \includegraphics[width=6.4cm]{12_pc_c_thesis.ps}
 \end{minipage}
 
@@ -2211,56 +2214,71 @@ High C \& low T implants
 
 \end{slide}
 
-% skipped high T / C conc
+% skip high c conc
 \fi
 
+% for preparation
+%\fi
+
 \begin{slide}
 
+\headphd
 {\large\bf
- Summary / Outlook
+ Summary / Conclusions
 }
 
-\small
+\scriptsize
 
-\begin{pspicture}(0,0)(12,1.0)
-\psframebox[fillstyle=gradient,gradbegin=hred,gradend=white,gradlines=1000,gradmidpoint=1.0,linestyle=none]{
-\begin{minipage}{11cm}
-{\color{black}Diploma thesis}\\
- \underline{Monte Carlo} simulation modeling the selforganization process\\
- leading to periodic arrays of nanometric amorphous SiC precipitates
+\framebox{
+\begin{minipage}{12.3cm}
+ \underline{Defects}
+ \begin{itemize}
+   \item DFT / EA
+        \begin{itemize}
+         \item Point defects excellently / fairly well described
+               by DFT / EA
+         \item C$_{\text{sub}}$ drastically underestimated by EA
+         \item EA predicts correct ground state:
+               C$_{\text{sub}}$ \& \si{} $>$ \ci{}
+         \item Identified migration path explaining
+               diffusion and reorientation experiments by DFT
+         \item EA fails to describe \ci{} migration:
+               Wrong path \& overestimated barrier
+        \end{itemize}
+   \item Combinations of defects
+         \begin{itemize}
+          \item Agglomeration of point defects energetically favorable
+                by compensation of stress
+          \item Formation of C-C unlikely
+          \item C$_{\text{sub}}$ favored conditions (conceivable in IBS)
+          \item \ci{} \hkl<1 0 0> $\leftrightarrow$ \cs{} \& \si{} \hkl<1 1 0>\\
+                Low barrier (\unit[0.77]{eV}) \& low capture radius
+        \end{itemize}
+ \end{itemize}
 \end{minipage}
 }
-\end{pspicture}\\[0.4cm]
-\begin{pspicture}(0,0)(12,2)
-\psframebox[fillstyle=gradient,gradbegin=hblue,gradend=white,gradmidpoint=1.0,gradlines=1000,linestyle=none]{
-\begin{minipage}{11cm}
-{\color{black}Doctoral studies}\\
- Classical potential \underline{molecular dynamics} simulations \ldots\\
- \underline{Density functional theory} calculations \ldots\\[0.2cm]
- \ldots on defect formation and SiC precipitation in Si
+
+\framebox{
+\begin{minipage}[t]{12.3cm}
+ \underline{Pecipitation simulations}
+ \begin{itemize}
+  \item High C concentration $\rightarrow$ amorphous SiC like phase
+  \item Problem of potential enhanced slow phase space propagation
+  \item Low T $\rightarrow$ C-Si \hkl<1 0 0> dumbbell dominated structure
+  \item High T $\rightarrow$ C$_{\text{sub}}$ dominated structure
+  \item High T necessary to simulate IBS conditions (far from equilibrium)
+  \item Precipitation by successive agglomeration of \cs (epitaxy)
+  \item \si{}: vehicle to form \cs{} \& supply of Si \& stress compensation
+        (stretched SiC, interface)
+ \end{itemize}
 \end{minipage}
 }
-\end{pspicture}\\[0.5cm]
-\begin{pspicture}(0,0)(12,3)
-\psframebox[fillstyle=solid,fillcolor=white,linestyle=solid]{
-\begin{minipage}{11cm}
-\vspace{0.2cm}
-{\color{black}\bf How to proceed \ldots}\\[0.1cm]
-MC $\rightarrow$ empirical potential MD $\rightarrow$ Ground-state DFT \ldots
-\begin{itemize}
- \renewcommand\labelitemi{$\ldots$}
- \item beyond LDA/GGA methods \& ground-state DFT
-\end{itemize}
-Investigation of structure \& structural evolution \ldots
-\begin{itemize}
- \renewcommand\labelitemi{$\ldots$}
- \item electronic/optical properties
- \item electronic correlations
- \item non-equilibrium systems
-\end{itemize}
-\end{minipage}
+
+\begin{center}
+{\color{blue}
+\framebox{Precipitation by successive agglomeration of \cs{}}
 }
-\end{pspicture}\\[0.5cm]
+\end{center}
 
 \end{slide}
 
@@ -2282,6 +2300,11 @@ Investigation of structure \& structural evolution \ldots
   \item Ralf Utermann (EDV)
  \end{itemize}
  
+ \underline{Berlin/Brandenburg}
+ \begin{itemize}
+  \item PD Volker Eyert (Ref)
+ \end{itemize}
+ 
  \underline{Helsinki}
  \begin{itemize}
   \item Prof. K. Nordlund (MD)
@@ -2299,10 +2322,9 @@ Investigation of structure \& structural evolution \ldots
   \item Dr. E. Rauls (DFT + SiC)
  \end{itemize}
 
- \underline{Stuttgart}
 \begin{center}
 \framebox{
-\bf Thank you for your attention / invitation!
+\bf Thank you for your attention!
 }
 \end{center}
 
@@ -2310,4 +2332,3 @@ Investigation of structure \& structural evolution \ldots
 
 \end{document}
 
-%\fi