MODELING APPROACH TO THE NANOCRYSTALS FORMATION IN THE CARBONIZATION PROCESS OF POROUS SILICON

  • Yuri Dergeevich Nagornov
  • Boris Feliksovich Melnikov
  • Andrey Victorovich Zolotov

Abstract

We developed a Monte Carlo method, which allows you to simulate the formation of nanocrystals of silicon carbide in high-temperature carbonization of porous silicon and allows for bulk diffusion. The simulation results showed that during the carbonization of porous silicon substrate at temperatures of 1273 K and higher observes the formation of nanocrystals of silicon carbide in the surface regions of the quantum wire, which are nanoparticles of 5-10 nm, which corresponds to the experimental results. The paper also presents a thermodynamic model for the formation of nanocrystals, which takes into account the heterogeneous mechanism of the melting of silicon nanocrystals and explains all the experimental and numerical data.
Section
Technical Sciences