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Gas-phase reaction mechanism in chemical dry etching using NF3 and remotely discharged NH3/N2 mixture

机译：使用NF3和远程排出的NH 3 / N 2混合物进行化学干蚀刻的气相反应机制

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Modeling of dry etching processes requires a detailed understanding of the relevant reaction mechanisms. This study aims to elucidate the gas-phase mechanism of reactions in the chemical dry etching process of SiO _(2) layers which is initiated by mixing NF _(3) gas with the discharged flow of an NH _(3) /N _(2) mixture in an etching chamber. A kinetic model describing the gas-phase reactions has been constructed based on the predictions of reaction channels and rate constants by quantum chemical and statistical reaction-rate calculations. The primary reaction pathway includes the reaction of NF _(3) with H atoms, NF _(3) + H → NF _(2) + HF, and subsequent reactions involving NF _(2) and other radicals. The reaction pathways were analyzed by kinetic simulation, and a simplified kinetic model composed of 12 reactions was developed. The surface process was also investigated based on preliminary quantum chemical calculations for ammonium fluoride clusters, which are considered to contribute to etching. The results indicate the presence of negatively charged fluorine atoms in the clusters, which are suggested to serve as etchants to remove SiO _(2) from the surface.
机译：干蚀刻过程的建模需要详细了解相关的反应机制。该研究旨在阐明通过将NF _（3）气体与NH _（3）/ N _的排出流动混合引发的SiO_（2）层的化学干蚀刻过程中的反应中的反应气相机制。 （2）在蚀刻室中的混合物。基于量子化学和统计反应速率计算的反应通道和速率常数的预测构建了描述气相反应的动力学模型。初级反应途径包括NF _（3）与H原子的反应，NF _（3）+ H→NF _（2）+ HF，以及随后涉及NF _（2）和其他基团的后续反应。通过动力学模拟分析反应途径，开发了由12个反应组成的简化动力学模型。还基于氟化铵簇的初始量子化学计算研究了表面过程，其被认为有助于蚀刻。结果表明存在带负电荷的氟原子在簇中，这建议用作从表面除去SiO_（2）的蚀刻剂。

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