Microscopic origins of anisotropy for the epitaxial growth of 3C-SiC (0001) vicinal surface: A kinetic Monte Carlo study

In order to investigate the microscopic evolution of the step flow growth process and reveal the microscopic origins of crystalline anisotropy during the epitaxial growth of 3C-SiC (0001) vicinal surface, a three-dimensional Kinetic Monte Carlo model is established, in which Si and C are considered individually. The helicoidal boundary condition is applied to the direction perpendicular to the step, and the periodic boundary condition is used in the direction along the step. Then, the effects of crystalline anisotropy on lateral growth rate, morphologies of step patterns, and growth mode are studied. The results show that the lateral growth rate in [1−210] is larger than that in ⟨1−100⟩, and the zigzag and meandering patterns of step are constructed in [1−210] and ⟨1−100⟩ directions, respectively, which is consistent with the experimental observations. Two possible origins of anisotropy are also revealed: one is the higher concentration of the edge sites of the step and the larger bonding energy in the [1−210] direction and another is the adatom diffusion along the edge of the step. Finally, a larger area of pure step flow growth mode is obtained in the [1−210] direction, which is good for lowering the cost for 3C-SiC epitaxial layers.