Kris's Research Notes

August 27, 2012

VLS Nanowire Simulations – C Bonds

Filed under: KMC, Nanowire — Kris Reyes @ 5:30 pm

In this note, we continue to study the effect of energy parameters on VLS nanowire growth. Here we examine the role of the \gamma(B,C) and \gamma(C,C) bonds, the liquid-solid and solid-solid bond strengths, respectively.

We repeat the procedure followed in this post, fixing \gamma(B, B) = 0.4 eV and varying \gamma(B, C) and \gamma(C, C) between 0.35 and 0.55 eV. Here are the results:

As expected, nanowire growth occurs only for \gamma(B,C) < \gamma (C,C). Otherwise, mixing occurs.

We also ran trials over larger \gamma(C,C) = 0.5, 0.6, 0.7 eV, fixing \gamma(B,C) = 0.35 eV and temperature T = 623 K (higher than the temperature used in the above simulations). Here are the results of each choice of \gamma(C,C) over 16 trials.

\gamma(C,C) = 0.5 eV

\gamma(C,C) = 0.6 eV

\gamma(C,C) = 0.7 eV

We see that as \gamma(C,C) increases, the tapered base becomes larger. In the extreme case \gamma(C,C) = 0.7 eV, the base spans the entire width of the domain, which apparently discourages the growth of the nanowire.

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