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This article is cited in 18 scientific papers (total in 18 papers)
Micro- and nanocrystalline, porous, composite semiconductors
Size dependence of the melting point of silicon nanoparticles: molecular dynamics and thermodynamic simulation
I. V. Talyzin, M. V. Samsonov, V. M. Samsonov, M. Yu. Pushkar, V. V. Dronnikov Tver State University
Abstract:
The size dependence of the melting point of Si nanoparticles is investigated using molecular dynamics and thermodynamic simulation based on the Thomson’s formula. The atomistic modeling data obtained using the Stillinger–Weber potential agree with the results reported by other authors and thermodynamic-simulation data and predict a decrease in the melting point $T_m$ of Si nanoparticles with an increase in their reciprocal radius $R^{-1}$ according to linear law. The available experimental data predict lower Tm values, including the limiting value $T^{(\infty)}_m$, which corresponds to the linear extrapolation of experimental points to $R^{-1}\to0$ (to the radius $R\to\infty$); the underestimation is 200–300 K as compared with the reference melting point of silicon (1688 K). It is concluded that the molecular-dynamics data on $T_m(R^{-1}$) obtained using the Stillinger–Weber potential are more adequate than the available experimental data.
Received: 05.06.2018 Revised: 27.02.2019 Accepted: 28.02.2019
Citation:
I. V. Talyzin, M. V. Samsonov, V. M. Samsonov, M. Yu. Pushkar, V. V. Dronnikov, “Size dependence of the melting point of silicon nanoparticles: molecular dynamics and thermodynamic simulation”, Fizika i Tekhnika Poluprovodnikov, 53:7 (2019), 964–970; Semiconductors, 53:7 (2019), 947–953
Linking options:
https://www.mathnet.ru/eng/phts5463 https://www.mathnet.ru/eng/phts/v53/i7/p964
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