X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Ftalks%2Fdefense.tex;h=ba3da3245ed5fdba181ef1401f654fd7052acc42;hp=e0f334deb00ebf20bef389b22e56734e3739ebb6;hb=8bbe73d014019b72005b776e372293389f197c5b;hpb=bb741b8e0c861ccd0f8751734fa967691665de9a diff --git a/posic/talks/defense.tex b/posic/talks/defense.tex index e0f334d..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} @@ -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} @@ -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] @@ -1775,7 +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> @@ -1783,17 +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} @@ -1834,16 +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}