Xenon ion implantation induced defects and amorphization in 4H-SiC: Insights from MD simulation and Raman spectroscopy characterization

YX Fan and ZW Xu and CJ Yang and Z Yang and K Zhang and SX Zheng, CERAMICS INTERNATIONAL, 49, 26654-26664 (2023).

DOI: 10.1016/j.ceramint.2023.05.200

Xenon Focused Ion Beam (Xe-FIB) processing of 4H-SiC is an emerging technique with great potential for various applications. In this study, we investigate the evolution mechanism of damage caused by xenon ion implantation in 4H-SiC using a combination of molecular dynamics (MD) simulation and Raman spectroscopy. The study explores the microscopic mechanisms of damage processing and repairs using the proper potential function and the optimized simulation model. The MD simulation reveals that the vacancy and interstitial sites of silicon and carbon atoms, as identified by the Wigner-Seitz defect method, increase linearly with implanted dose until the dose reaches 2 x 1014 ions/cm2. Subsequently, the growth rate of each defect site in the damaged area slows down and eventually comes to a saturation state with a continuous increase in dose. The growth rate of the amorphous region also slows down with the constant increase in dose, similar to the results obtained through variable temperature Raman spectroscopy characterization experiments on 4H-SiC (0001) nitrogen-doped substrates implanted with different doses of xenon ions. Furthermore, unlike light ions such as hydrogen and helium, Xe ions cause significant damage to the inside of 4H-SiC, resulting in the inability to produce structurally complete silicon vacancy defects. Our findings provide insights into the fundamental mechanism of Xe-FIB processing and have implications for future applications in semiconductor technology.

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