Abstract

Silicon carbide (SiC), as a wide-band gap semiconductor, plays an important role in high temperature and high-power devices, and the spin defect has great application prospect in quantum technology. Divacancy in SiC (VCVSi, VV) has attracted more and more attention. There are a lot of experimental studies on color center preparation by ion implantation, but the mechanism of atomic scale defects in the experimental preparation process is not fully understood. EPI epitaxial 4H–SiC was implanted with 250 keV proton at room temperature under three fluence of 1E14 cm−2, 1E15 cm−2, 1E16 cm−2. Defects of implanted 4H–SiC samples were characterized by photoluminescence spectrum and electron paramagnetic resonance (EPR). The existence of the optimal implantation fluence for VSi and VCVSi (VV) color centers by hydrogen ion implantation was found. Molecular dynamics (MD) simulation by considering the ionization energy loss for swift ion implantation were used to study the defect distribution and transformation at atomic-scale during hydrogen ion implantation and post-annealing. The optimal implantation fluence was found and confirmed by comparing the atomic-scale implantation simulation with the experimental results. In the annealing simulation, the optimal annealing temperature for the color centers in 4H–SiC was verified, and its formation mechanism was analyzed by accurately calculating the defect transformation during the annealing process. Finally, in order to accurately control the depth of color center in 4H–SiC, dual ions implantation of carbon and proton has been studied to realize the optimal divacancy yield by SRIM and MD simulations. Molecular dynamics simulation results showed that low-fluence C pre-implantation is helpful to improve the color center yield for the dual ions implantation.

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