X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Ftalks%2Fdefense.tex;h=ba3da3245ed5fdba181ef1401f654fd7052acc42;hp=d41cff2b11d5c561eaf5aafe5503718fd8931aac;hb=8bbe73d014019b72005b776e372293389f197c5b;hpb=17d5c879c418790a154098e51c524eca183c4d98

diff --git a/posic/talks/defense.tex b/posic/talks/defense.tex
index d41cff2..ba3da32 100644
--- a/posic/talks/defense.tex
+++ b/posic/talks/defense.tex
@@ -648,10 +648,10 @@ r = \unit[2--4]{nm}
  \end{itemize}
  $\Rightarrow$ mobile {\color{red}\ci} opposed to
  stable {\color{blue}\cs{}} configurations
-\item Strained silicon \& Si$_{1-y}$C$_y$ heterostructures
+\item Strained Si$_{1-y}$C$_y$/Si heterostructures
       {\tiny\color{gray}/Strane~et~al./Guedj~et~al./}
  \begin{itemize}
-  \item Initial {\color{blue}coherent} SiC precipitates (tensile strain)
+  \item Initial {\color{blue}coherent} SiC structures (tensile strain)
   \item Incoherent SiC (strain relaxation)
  \end{itemize}
 \end{itemize}
@@ -966,7 +966,7 @@ $E_{\text{f}}=5.18\text{ eV}$\\
 
 \scriptsize
 
-\vspace{0.2cm}
+\vspace{0.3cm}
 
 \begin{minipage}{6.8cm}
 \framebox{\hkl[0 0 -1] $\rightarrow$ \hkl[0 0 1]}\\
@@ -985,14 +985,14 @@ $\rightarrow$
 \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\\
+Symmetry:\\
+$\Rightarrow$ Sufficient to consider \hkl[00-1] to BC transition\\
 $\Rightarrow$ 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}\\[0.2cm]
-\end{minipage}\\[0.3cm]
+\end{minipage}\\[0.4cm]
 %\hrule
 %
 \begin{minipage}{6.8cm}
@@ -1056,7 +1056,7 @@ Note: Change in orientation
 \begin{itemize}
  \item Bond-centered configuration unstable\\
        $\rightarrow$ \ci{} \hkl<1 1 0> dumbbell
- \item Minima of the \hkl[0 0 -1] to \hkl[0 -1 0] transition\\
+ \item Minimum of the \hkl[0 0 -1] to \hkl[0 -1 0] transition\\
        $\rightarrow$ \ci{} \hkl<1 1 0> DB
 \end{itemize}
 \vspace{0.1cm}
@@ -1083,7 +1083,7 @@ Note: Change in orientation
 
 \headphd
 {\large\bf\boldmath
- Defect combinations
+ Defect combinations --- ab inito
 }
 
 \footnotesize
@@ -1561,7 +1561,7 @@ $\rightarrow$ Consider $V_2$ and $V_3$
 \begin{minipage}{6.1cm}
 \scriptsize
 \underline{Low C concentration --- {\color{red}$V_1$}}\\[0.1cm]
-\hkl<1 0 0> C-Si dumbbell dominated structure
+\ci{} \hkl<1 0 0> dumbbell dominated structure
 \begin{itemize}
  \item Si-C bumbs around \unit[0.19]{nm}
  \item C-C peak at \unit[0.31]{nm} (expected in 3C-SiC):\\
@@ -1573,7 +1573,7 @@ $\rightarrow$ Consider $V_2$ and $V_3$
 \begin{minipage}{6cm}
 \centering
 Formation of \ci{} dumbbells\\
-C atoms in proper 3C-SiC distance first
+C atoms separated as expected in 3C-SiC
 \end{minipage}
 }}
 \end{pspicture}\\[0.1cm]
@@ -1621,7 +1621,7 @@ Amorphous SiC-like phase
 \begin{minipage}{6.1cm}
 \scriptsize
 \underline{Low C concentration --- {\color{red}$V_1$}}\\[0.1cm]
-\hkl<1 0 0> C-Si dumbbell dominated structure
+\ci{} \hkl<1 0 0> dumbbell dominated structure
 \begin{itemize}
  \item Si-C bumbs around \unit[0.19]{nm}
  \item C-C peak at \unit[0.31]{nm} (expected in 3C-SiC):\\
@@ -1692,7 +1692,7 @@ No rearrangement/transition into 3C-SiC
 \vspace{0.2cm}
 
 {\bf Time scale problem of MD}\\[0.2cm]
-Precise integration \& thermodynamic sampling\\
+Minimize integration error \& precise thermodynamic sampling\\
 $\Rightarrow$ $\Delta t \ll \left( \max{\omega} \right)^{-1}$,
               $\omega$: vibrational mode\\
 $\Rightarrow$ {\color{red}\underline{Slow}} phase space propagation\\[0.2cm]
@@ -1708,8 +1708,7 @@ $\Rightarrow$ Phase transition consists of {\color{red}\underline{many}}
 
 {\bf Limitations related to the short range potential}\\[0.2cm]
 Cut-off function limits interaction to next neighbours\\
-$\Rightarrow$ Overestimated unphysical high forces of next neighbours
-              (factor: 2.4--3.4)
+$\Rightarrow$ Overestimated diffusion barrier (factor: 2.4--3.4)
 
 \vspace{1.4cm}
 
@@ -1776,7 +1775,8 @@ equilibrium properties
  \underline{Si-C bonds:}
  \begin{itemize}
   \item Vanishing cut-off artifact (above $1650\,^{\circ}\mathrm{C}$)
-  \item Structural change: C-Si \hkl<1 0 0> $\rightarrow$ C$_{\text{sub}}$
+  \item Structural change: \ci{} \hkl<1 0 0> DB $\rightarrow$
+        {\color{blue}\cs{}}
  \end{itemize}
  \underline{Si-Si bonds:}
  {\color{blue}Si-C$_{\text{sub}}$-Si} along \hkl<1 1 0>
@@ -1784,17 +1784,11 @@ equilibrium properties
  \underline{C-C bonds:}
  \begin{itemize}
   \item C-C next neighbour pairs reduced (mandatory)
-  \item Peak at 0.3 nm slightly shifted
-        \begin{itemize}
-         \item C-Si \hkl<1 0 0> combinations (dashed arrows)\\
-               $\rightarrow$ C-Si \hkl<1 0 0> \& C$_{\text{sub}}$
-               combinations (|)\\
-               $\rightarrow$ pure {\color{blue}C$_{\text{sub}}$ combinations}
-               ($\downarrow$)
-         \item Range [|-$\downarrow$]:
-               {\color{blue}C$_{\text{sub}}$ \& C$_{\text{sub}}$
-               with nearby Si$_{\text{I}}$}
-        \end{itemize}
+  \item Peak at 0.3 nm slightly shifted\\[0.05cm]
+        $\searrow$ \ci{} combinations (dashed arrows)\\
+        $\nearrow$ \ci{} \hkl<1 0 0> \& {\color{blue}\cs{} combinations} (|)\\
+        $\nearrow$ \ci{} \hkl<1 0 0> \& \cs{} combinations (|)\\[0.05cm]
+        Range [|-$\downarrow$]: {\color{blue}\cs{} \& \cs{} with nearby \si}
  \end{itemize}
 \end{minipage}
 
@@ -1835,16 +1829,11 @@ equilibrium properties
  \begin{itemize}
   \item C-C next neighbour pairs reduced (mandatory)
   \item Peak at 0.3 nm slightly shifted
-        \begin{itemize}
-         \item C-Si \hkl<1 0 0> combinations (dashed arrows)\\
-               $\rightarrow$ C-Si \hkl<1 0 0> \& C$_{\text{sub}}$
-               combinations (|)\\
-               $\rightarrow$ pure {\color{blue}C$_{\text{sub}}$ combinations}
-               ($\downarrow$)
-         \item Range [|-$\downarrow$]:
-               {\color{blue}C$_{\text{sub}}$ \& C$_{\text{sub}}$
-               with nearby Si$_{\text{I}}$}
-        \end{itemize}
+  \item Peak at 0.3 nm slightly shifted\\[0.05cm]
+        $\searrow$ \ci{} combinations (dashed arrows)\\
+        $\nearrow$ \ci{} \hkl<1 0 0> \& {\color{blue}\cs{} combinations} (|)\\
+        $\nearrow$ \ci{} \hkl<1 0 0> \& \cs{} combinations (|)\\[0.05cm]
+        Range [|-$\downarrow$]: {\color{blue}\cs{} \& \cs{} with nearby \si}
  \end{itemize}
 \end{minipage}
 
@@ -2013,7 +2002,7 @@ High C \& low T implants
   \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 Increased participation of \cs{} in the precipitation process
+  \item \cs{} involved in the precipitation process at elevated temperatures
   \item \si{}: vehicle to form \cs{} \& supply of Si \& stress compensation
         (stretched SiC, interface)
  \end{itemize}
@@ -2022,7 +2011,7 @@ High C \& low T implants
 
 \begin{center}
 {\color{blue}\bf
-\framebox{Precipitation by successive agglomeration of \cs{}}
+\framebox{IBS: 3C-SiC precipitation occurs by successive agglomeration of \cs{}}
 }
 \end{center}