From: hackbard Date: Fri, 15 Feb 2008 20:25:23 +0000 (+0100) Subject: safety commit + new sic prec sequence figures X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=47c75dbe6e5de9b8268c46624ab7e599b2dbd8bb;p=lectures%2Flatex.git safety commit + new sic prec sequence figures --- diff --git a/posic/figs/sic_prec_seq_00.fig b/posic/figs/sic_prec_seq_00.fig new file mode 100644 index 0000000..747fc8c --- /dev/null +++ b/posic/figs/sic_prec_seq_00.fig @@ -0,0 +1,193 @@ +#FIG 3.2 Produced by xfig version 3.2.5 +Landscape +Center +Metric +A4 +100.00 +Single +-2 +1200 2 +6 1665 1665 9135 1935 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 1800 1800 101 101 1800 1800 1901 1800 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2700 1800 101 101 2700 1800 2801 1800 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3600 1800 101 101 3600 1800 3701 1800 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 4500 1800 101 101 4500 1800 4601 1800 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 5400 1800 101 101 5400 1800 5501 1800 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 6300 1800 101 101 6300 1800 6401 1800 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7200 1800 101 101 7200 1800 7301 1800 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8100 1800 101 101 8100 1800 8201 1800 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9000 1800 101 101 9000 1800 9101 1800 +-6 +6 1980 1350 9450 1620 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2115 1485 101 101 2115 1485 2216 1485 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3015 1485 101 101 3015 1485 3116 1485 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3915 1485 101 101 3915 1485 4016 1485 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 4815 1485 101 101 4815 1485 4916 1485 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 5715 1485 101 101 5715 1485 5816 1485 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 6615 1485 101 101 6615 1485 6716 1485 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7515 1485 101 101 7515 1485 7616 1485 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8415 1485 101 101 8415 1485 8516 1485 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9315 1485 101 101 9315 1485 9416 1485 +-6 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0 50 -1 20 0.000 1 0.0000 6300 6930 101 101 6300 6930 6401 6930 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7200 6930 101 101 7200 6930 7301 6930 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8100 6930 101 101 8100 6930 8201 6930 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9000 6930 101 101 9000 6930 9101 6930 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 1800 4905 101 101 1800 4905 1901 4905 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2700 4905 101 101 2700 4905 2801 4905 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3600 4905 101 101 3600 4905 3701 4905 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 4500 4905 101 101 4500 4905 4601 4905 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 5400 4905 101 101 5400 4905 5501 4905 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 6300 4905 101 101 6300 4905 6401 4905 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7200 4905 101 101 7200 4905 7301 4905 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8100 4905 101 101 8100 4905 8201 4905 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9000 4905 101 101 9000 4905 9101 4905 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 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3870 5501 3870 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 6300 3870 101 101 6300 3870 6401 3870 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7200 3870 101 101 7200 3870 7301 3870 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8100 3870 101 101 8100 3870 8201 3870 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9000 3870 101 101 9000 3870 9101 3870 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 1800 2835 101 101 1800 2835 1901 2835 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2700 2835 101 101 2700 2835 2801 2835 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3600 2835 101 101 3600 2835 3701 2835 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 4500 2835 101 101 4500 2835 4601 2835 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 5400 2835 101 101 5400 2835 5501 2835 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 6300 2835 101 101 6300 2835 6401 2835 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7200 2835 101 101 7200 2835 7301 2835 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8100 2835 101 101 8100 2835 8201 2835 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9000 2835 101 101 9000 2835 9101 2835 diff --git a/posic/figs/sic_prec_seq_01.fig b/posic/figs/sic_prec_seq_01.fig index f80bb44..3e14fc9 100644 --- a/posic/figs/sic_prec_seq_01.fig +++ b/posic/figs/sic_prec_seq_01.fig @@ -7,34 +7,6 @@ A4 Single -2 1200 2 -6 2430 2700 2970 2970 -1 3 0 1 4 4 50 -1 20 0.000 1 0.0000 2835 2835 101 101 2835 2835 2936 2835 -1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2565 2835 101 101 2565 2835 2666 2835 --6 -6 3330 6795 3870 7065 -1 3 0 1 4 4 50 -1 20 0.000 1 0.0000 3735 6930 101 101 3735 6930 3836 6930 -1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3465 6930 101 101 3465 6930 3566 6930 --6 -6 7830 7830 8370 8100 -1 3 0 1 4 4 50 -1 20 0.000 1 0.0000 8235 7965 101 101 8235 7965 8336 7965 -1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7965 7965 101 101 7965 7965 8066 7965 --6 -6 6930 5760 7470 6030 -1 3 0 1 4 4 50 -1 20 0.000 1 0.0000 7335 5895 101 101 7335 5895 7436 5895 -1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7065 5895 101 101 7065 5895 7166 5895 --6 -6 7830 2700 8370 2970 -1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8235 2835 101 101 8235 2835 8336 2835 -1 3 0 1 4 4 50 -1 20 0.000 1 0.0000 7965 2835 101 101 7965 2835 8066 2835 --6 -6 5130 3735 5670 4005 -1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 5535 3870 101 101 5535 3870 5636 3870 -1 3 0 1 4 4 50 -1 20 0.000 1 0.0000 5265 3870 101 101 5265 3870 5366 3870 --6 -6 2430 4770 2970 5040 -1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2835 4905 101 101 2835 4905 2936 4905 -1 3 0 1 4 4 50 -1 20 0.000 1 0.0000 2565 4905 101 101 2565 4905 2666 4905 --6 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 1800 9000 101 101 1800 9000 1901 9000 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2700 9000 101 101 2700 9000 2801 9000 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3600 9000 101 101 3600 9000 3701 9000 @@ -51,9 +23,11 @@ Single 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 5400 7965 101 101 5400 7965 5501 7965 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 6300 7965 101 101 6300 7965 6401 7965 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7200 7965 101 101 7200 7965 7301 7965 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8100 7965 101 101 8100 7965 8201 7965 1 3 0 1 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2306 3555 +1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 2520 6390 101 101 2520 6390 2621 6390 +1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 8550 3105 101 101 8550 3105 8651 3105 +1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 3420 1800 101 101 3420 1800 3521 1800 +1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3690 1800 101 101 3690 1800 3791 1800 +1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 6705 2070 101 101 6705 2070 6806 2070 +1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 6165 7380 101 101 6165 7380 6266 7380 diff --git a/posic/talks/dpg_2008.tex b/posic/talks/dpg_2008.tex index 00e9aaf..5bc70e6 100644 --- a/posic/talks/dpg_2008.tex +++ b/posic/talks/dpg_2008.tex @@ -28,6 +28,8 @@ \articlemag{1} +\special{landscape} + \begin{document} \extraslideheight{10in} @@ -132,8 +134,8 @@ \end{itemize} \item Results gained by simulation \begin{itemize} - \item Carbon interstitials in silicon - \item Existence of $SiC$-precipitates + \item Interstitials in silicon + \item $SiC$-precipitation experiments \end{itemize} \item Conclusion / Outlook \end{itemize} @@ -141,5 +143,185 @@ % start of contents +\begin{slide} + + {\large\bf + Motivation / Introduction + } + + \small + \vspace{6pt} + + Supposed mechanism of the conversion of heavily carbon doped Si into SiC: + + \vspace{8pt} + + \begin{minipage}{3.8cm} + \includegraphics[width=3.7cm]{sic_prec_seq_01.eps} + \end{minipage} + \hspace{0.6cm} + \begin{minipage}{3.8cm} + \includegraphics[width=3.7cm]{sic_prec_seq_02.eps} + \end{minipage} + \hspace{0.6cm} + \begin{minipage}{3.8cm} + \includegraphics[width=3.7cm]{sic_prec_seq_03.eps} + \end{minipage} + + \vspace{8pt} + + \begin{minipage}{3.8cm} + Formation of C-Si dumbbells on regular c-Si lattice sites + \end{minipage} + \hspace{0.6cm} + \begin{minipage}{3.8cm} + Agglomeration into large clusters (embryos)\\ + \end{minipage} + \hspace{0.6cm} + \begin{minipage}{3.8cm} + Precipitation of 3C-SiC + Creation of interstitials\\ + \end{minipage} + + \begin{center} + \[5a_{SiC}=4a_{Si} \quad \Rightarrow \quad + \frac{n_{SiC}}{n_{Si}}=\frac{\frac{4}{a_{SiC}^3}}{\frac{8}{a_{Si}^3}}= + \frac{5^3}{2\cdot4^3}=97,66\% + \] + \end{center} + + Experimentally observed minimal diameter of precipitation: 4 - 5 nm + +\end{slide} + +\begin{slide} + + {\large\bf + Simulation details + } + + MD basics: + \begin{itemize} + \item Microscopic description of N particle system + \item Analytical interaction potential + \item Hamilton's equations of motion as propagation rule\\ + in 6N-dimemnsional phase space + \item Observables obtained by time average + \end{itemize} + + \vspace{4pt} + + Application details: + \begin{itemize} + \item Integrator: velocity verlet, timestep: $1\, fs$ + \item Ensemble control: NVT, Berendsen thermostat, $\tau=100.0$ + \item Potential: Tersoff-like bond order potential\\ + \[ + E = \frac{1}{2} \sum_{i \neq j} \pot_{ij}, \quad + \pot_{ij} = f_C(r_{ij}) \left[ f_R(r_{ij}) + b_{ij} f_A(r_{ij}) \right] + \] + \begin{center} + {\scriptsize P. Erhart und K. Albe. Phys. Rev. B 71 (2005) 035211} + \end{center} + \end{itemize} + +\end{slide} + +\begin{slide} + + {\large\bf + Simulation details + } + + Interstitial experiments: + \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 random positions (critical distance check) + \end{itemize} + \item Relaxation time: $2\, ps$ + \end{itemize} + +\end{slide} + +\begin{slide} + + {\large\bf + Simulation details + } + + SiC precipitation experiments: + \begin{itemize} + \item Initial configuration: $31\times31\times31$ unit cells Si + \item Periodic boundary conditions + \item $T=450\, ^{\circ}C$ + \item Steady state time: $600\, fs$ + \item C insertion steps: + \begin{itemize} + \item If $T=450\pm 1\, ^{\circ}C$:\\ + Insertion of 10 atoms at random positions within $V_{ins}$ + \item Otherwise: Annealing for another $100\, fs$ + \end{itemize} + \item Annealing: ($T_a: 450\rightarrow 20 \, ^{\circ}C$) + \begin{itemize} + \item If $T=T_a$: Decrease $T_a$ by $1\, ^{\circ}C$ + \item Otherwise: Annealing for another $50\, fs$ + \end{itemize} + \end{itemize} + + 3 szenarios + \begin{itemize} + \item $V_ins$: total volume $V$ + \item $V_ins$: + \end{itemize} + +\end{slide} + +\begin{slide} + + {\large\bf + Results + } + +\end{slide} + +\begin{slide} + + {\large\bf + Results + } + +\end{slide} + +\begin{slide} + + {\large\bf + Results + } + +\end{slide} + +\begin{slide} + + {\large\bf + Results + } + +\end{slide} + +\begin{slide} + + {\large\bf + Conclusion / Outlook + } + +\end{slide} + + \end{document}