One of the important steps in the fabrication of semiconductor memory devices is the deposition of ultrathin silicon nitride films with uniform film thickness and electrical properties. Such high-quality films have made atomic level control during deposition a necessity and can be achieved via atomic layer deposition (ALD) with excellent step coverage. While ALD has been studied experimentally by many authors, there exist significant gaps between their observations and the practical application of the ALD process in large-scale manufacturing. In this work, a computational model of thin film deposition for a silicon based ALD application was developed. The model includes a surface chemistry mechanism for the deposition of hexachlorodisilane (Si₂Cl₆) on a growing Si_xN_y film. This mechanism quantifies the sticking probability of the Si₂Cl₆ precursor on the growth surface as well as an effective active reaction site density on these surfaces. This surface reaction chemistry was used in the context of a feature scale particle transport model to simulate ALD in 100 nm–1 μm critical dimension, ∼10–100 high aspect ratio holes. The model demonstrates the effects of hole size and aspect ratio dependence on the overall kinetics of the deposition process. An increase in the completion time for ALD processes with increasing hole aspect ratio and the increasing statistical nature of the deposition process with smaller critical dimension of the hole were predicted.

中文翻译：

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Si2Cl6前驱体沉积SixNyatomic层的表面动力学和特征尺度颗粒模型

半导体存储器件制造中的重要步骤之一是沉积具有均匀膜厚和电性能的超薄氮化硅膜。这种高质量的膜已使沉积过程中的原子能级控制成为必要，并且可以通过原子层沉积（ALD）来实现，该原子层沉积具有出色的台阶覆盖率。尽管许多作者已经通过实验研究了原子层沉积，但是他们的观察与原子层沉积工艺在大规模生产中的实际应用之间仍然存在明显的差距。在这项工作中，开发了基于硅的ALD应用的薄膜沉积计算模型。该模型包括用于在生长的Si _x上沉积六氯乙硅烷（Si ₂ Cl ₆）的表面化学机理。N _y电影。该机制量化了Si ₂ Cl ₆前体在生长表面上的粘附概率以及在这些表面上的有效活性反应位点密度。这种表面反应化学物中的特征尺度颗粒传输模型来模拟ALD在100纳米-1的上下文中使用 μ中号临界尺寸，~10-100高纵横比的孔。该模型演示了孔尺寸和长宽比对沉积过程整体动力学的影响。预测随着孔长宽比的增加，ALD工艺的完成时间会增加，并且在孔的临界尺寸较小的情况下，沉积工艺的统计性质也会增加。