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Home > News > A competitive lattice model Monte Carlo method for simulation competitive growth of different polytypes in close-packed crystals: 4H and 6H silicon carbide
A competitive lattice model Monte Carlo method for simulation competitive growth of different polytypes in close-packed crystals: 4H and 6H silicon carbide

 

Highlights

 

We developed a competitive lattice model for the Kinetic Monte Carlo simulation.

To simulate the competition growth of 4H and 6H polytypes in SiC by our model.

Kinetics processes are considered in physical criterion.

Periodic and non-periodic boundary conditions are carried out.

Polytypes, TSDs and roughness are incorporated into our model.

 


Abstract

A competitive lattice model Kinetic Monte Carlo method has been developed and implemented to simulate the SiC crystals growth by physical vapor transport method. The model is an advancement with respect to standard Monte Carlo algorithms, allowing to simulate polytypes competitive growth and defective evolution. The model can simulate the formation and evolution of threading screw dislocations in SiC as well. Kinetics processes with surface energy and bond energy, including deposition, evaporation and diffusion processes are considered in physical criterion in our model. Periodic boundary conditions and non-periodic boundary conditions are carried out. The competitive growth between 4H- and 6H-SiC polytypes suggests that retaining the step growth mode is an important factor to maintain a stable single 4H polytype during SiC growth. The threading screw dislocations simulation indicates that screw dislocations drive the growth of SiC. The evolution of surface morphologies demonstrates that fast surface diffusion rate and low growth rate may be one way to grow high quality, low-roughness 4H-SiC crystals.


Graphical abstract

 

Image for unlabelled figure

 

Keywords

  • 4H/6H-SiC
  • Polytypes
  • Kinetic Monte Carlo
  • Competitive lattice model
  • Evolution

Source:Sciencedirect 

 

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