Numerical study of silicon vacancy color centers in silicon carbide by helium ion implantation and subsequent annealing

Molecular dynamics (MD) simulation is adopted to discover the underlying mechanism of silicon vacancy color center and damage evolution during helium ions implanted four-hexagonal silicon carbide (4H-SiC) and subsequent annealing. The atomic-scale mechanism of silicon vacancy color centers in the process of He ion implantation into 4H-SiC can be described more accurately by incorporating electron stopping power for He ion implantation. We present a new method for calculating the silicon vacancy color center numerically, which considers the structure around the color center and makes the statistical results more accurate than the Wigner-Seitz defect analysis method. At the same time, photoluminescence (PL) spectroscopy of silicon vacancy color center under different helium ion doses is also characterized for validating the numerical analysis. The MD simulation of the optimal annealing temperature of silicon vacancy color center is predicted by the proposed new method.