大尺寸硅晶圆CMP中腐蚀剂作用机制研究进展

Research progress on the mechanism of corrosive agents in the chemical mechanical polishing of large-sized silicon wafers

  • 摘要: 硅片是现代电子产业的基石。由于对硅片表面平整度的严苛要求,化学机械抛光(CMP)已成为300 mm大尺寸硅片不可替代的全局平坦化技术。腐蚀剂的作用机制直接决定了抛光液的性能优化方向。本文从实验研究与模拟仿真两个维度系统梳理了相关研究脉络。在实验研究方面,传统无机碱因易引入金属离子污染,正逐步被具有可控质子化动力学与空间位阻效应的脂肪胺、杂环胺等有机碱所取代;氧化型腐蚀剂则通过构建氧化–水解动态平衡,有效提升材料去除率并抑制表面损伤。在模拟仿真方面,反应力场分子动力学实现了化学键断裂与形成的原子级可视化,揭示了界面桥键拉伸诱导的原子移除机制;密度泛函理论(DFT)精准定位了腐蚀剂的亲核活性位点,为分子设计提供了定量判据;机器学习则借助数据驱动范式,实现了抛光液组分的跨尺度协同优化。最后,本文对绿色环保型腐蚀剂开发、人工智能辅助分子设计以及多场耦合作用机制等未来研究方向进行了展望。

     

    Abstract: Silicon wafers are fundamental to the modern electronics industry. Owing to stringent surface flatness requirements, chemical mechanical polishing (CMP) remains an essential global planarization technique for 300 mm silicon wafers. The mechanism of action of corrosive agents governs the optimization of polishing slurries. This paper comprehensively reviews recent advancements from both experimental and analog simulation perspectives. Experimentally, traditional inorganic alkalis are increasingly being replaced by organic compounds-such as aliphatic and heterocyclic amines-that provide controllable protonation and steric effects, thereby mitigating metal ion contamination. Moreover, oxidizing agents have been demonstrated to enhance material removal rates while minimizing surface damage by establishing a dynamic equilibrium between oxidation and hydrolysis. On the simulation front, reactive force field molecular dynamics enables atomic-level observation of bond breaking and formation, revealing that atom removal is driven by elongation of interfacial bridge bonds. Density functional theory accurately identifies nucleophilic sites on corrosive agents, offering quantitative guidance for molecular design. Furthermore, machine learning techniques enable cross-scale, collaborative optimization of slurry formulations. The paper concludes by outlining future research directions, including environmentally friendly approaches, AI-assisted molecular design, and mechanistic studies involving multiple coupled physical fields.

     

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