Formation of 2D silicon-carbide nanoribbons by cooling from the melt and out-of-plane displacements of atoms

Formation of two-dimensional (2D) crystalline silicon carbide (SiC) from the melt is studied using molecular dynamics (MD) simulations. Model containing 11040 atoms interacted via the Vashishta interaction potential is cooled from 4500 to 300 K to investigate the change in structure and thermodynamic properties. We find evidence that crystallization of 2D SiC from the melt undergoes over some stages as follows. At temperature high enough, liquid 2D SiC exhibits the chain-like structure and further cooling leads to the formation of 2D SiC liquid with the ring-like structure. After that massive occurrence/growth of solid-like atoms occurs in the system leading to the formation of 2D SiC with a honeycomb structure. Moreover, out-of-plane displacements of atoms in the SiC nanoribbons at the selected temperatures are found and discussed. Graphical abstract