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A Systematic Method for Predictive In Silico Chemical Vapor Deposition
The Journal of Physical Chemistry C ( IF 3.7 ) Pub Date : 2020-03-31 , DOI: 10.1021/acs.jpcc.9b10874 Örjan Danielsson 1, 2 , Matts Karlsson 3 , Pitsiri Sukkaew 1 , Henrik Pedersen 1 , Lars Ojamäe 1
The Journal of Physical Chemistry C ( IF 3.7 ) Pub Date : 2020-03-31 , DOI: 10.1021/acs.jpcc.9b10874 Örjan Danielsson 1, 2 , Matts Karlsson 3 , Pitsiri Sukkaew 1 , Henrik Pedersen 1 , Lars Ojamäe 1
Affiliation
A comprehensive systematic method for chemical vapor deposition modeling consisting of seven well-defined steps is presented. The method is general in the sense that it is not adapted to a certain type of chemistry or reactor configuration. The method is demonstrated using silicon carbide (SiC) as a model system, with accurate matching to measured data without tuning of the model. We investigate the cause of several experimental observations for which previous research reports only have had speculative explanations. In contrast to previous assumptions, we can show that SiCl2 does not contribute to SiC deposition. We can confirm the presence of larger molecules at both low and high C/Si ratios, which have been thought to cause so-called step-bunching. We can also show that high concentrations of Si lead to other Si molecules other than the ones contributing to growth, which also explains why the C/Si ratio needs to be lower at these conditions to maintain high material quality as well as the observed saturation in deposition rates. Due to its independence of a chemical system and reactor configuration, the method paves the way for a general predictive CVD modeling tool.
中文翻译:
预测硅化学气相沉积的系统方法
提出了由七个明确定义的步骤组成的化学气相沉积建模的综合系统方法。从不适合某种化学或反应器配置的意义上讲,该方法是通用的。使用碳化硅(SiC)作为模型系统演示了该方法,该模型可与测量数据精确匹配,而无需调整模型。我们调查了一些实验观察的原因,而先前的研究报告仅对此进行了推测性解释。与先前的假设相反,我们可以证明SiCl 2不会有助于SiC沉积。我们可以确定在低C / Si比和高C / Si比下都存在较大的分子,这被认为会引起所谓的阶跃聚束。我们还可以证明,高浓度的硅会导致其他硅分子而不是有助于生长的硅分子,这也解释了为什么在这些条件下C / Si比需要降低以保持高材料质量以及观察到的饱和度的原因。沉积速率。由于其化学系统和反应器配置的独立性,该方法为一般的预测性CVD建模工具铺平了道路。
更新日期:2020-03-31
中文翻译:
预测硅化学气相沉积的系统方法
提出了由七个明确定义的步骤组成的化学气相沉积建模的综合系统方法。从不适合某种化学或反应器配置的意义上讲,该方法是通用的。使用碳化硅(SiC)作为模型系统演示了该方法,该模型可与测量数据精确匹配,而无需调整模型。我们调查了一些实验观察的原因,而先前的研究报告仅对此进行了推测性解释。与先前的假设相反,我们可以证明SiCl 2不会有助于SiC沉积。我们可以确定在低C / Si比和高C / Si比下都存在较大的分子,这被认为会引起所谓的阶跃聚束。我们还可以证明,高浓度的硅会导致其他硅分子而不是有助于生长的硅分子,这也解释了为什么在这些条件下C / Si比需要降低以保持高材料质量以及观察到的饱和度的原因。沉积速率。由于其化学系统和反应器配置的独立性,该方法为一般的预测性CVD建模工具铺平了道路。