In this study, we perform a series of simulation of a high-energy particle irradiation on a 3C-SiC at low temperature through molecular dynamic analysis. In order to determine the formation mechanism of black spot defects (BSD), the evolution of defect clusters during the cascade process is examined. Simulation results show that there are more isolated interstitials scattering across the structure while the less mobile vacancies are concentrated in defect clusters, which is consistent with the depleted zone theory proposed by Brinkman [3]. These results also match the TEM observation and simulation results done by Lin et al. [4] and support the argument that black spot defects are in fact vacancy-rich regions, with individual interstitials spreading into bulk, stretching the lattice structure.

在这项研究中，我们通过分子动力学分析对低温下3C-SiC上的高能粒子辐照进行了一系列模拟。为了确定黑点缺陷（BSD）的形成机理，研究了级联过程中缺陷簇的演变。仿真结果表明，在整个结构中有更多的孤立的间隙散射，而较少的移动空位集中在缺陷簇中，这与Brinkman [3]提出的耗尽区理论是一致的。这些结果也与Lin等人的TEM观察和模拟结果相符。[4]并支持这样一种论点，即黑点缺陷实际上是空位丰富的区域，其中单个间隙扩散成块，从而拉伸了晶格结构。