Modeling of Silicon Dioxide Chemical Vapor Deposition from Tetraethoxysilane and Ozone
Modeling of Silicon Dioxide Chemical Vapor Deposition from Tetraethoxysilane and Ozone
复制标题
四乙氧基硅烷和臭氧的二氧化硅化学气相沉积建模
DOI：
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发表时间：
2001
期刊：
影响因子：
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通讯作者：
T. Whidden
中科院分区：
文献类型：
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作者：
S. Romet;M. Couturier;T. Whidden
利用CHEMKIN-III模拟软件对正硅酸乙酯（TEOS）和臭氧化学气相沉积（CVD）二氧化硅的过程进行了模拟。模型假设，薄膜生长的进展，通过快速氧化的含硅化合物的臭氧或原子氧在基板表面。该研究的目的是使用文献中的动力学数据，开发一个可靠的反应模型，不超过一个可调参数。模拟结果表明，在TEOS/臭氧CVD中，TEOS表面反应对薄膜生长的直接贡献可以忽略不计。在低TEOS流速下的沉积通过TEOS与原子氧反应在气相中形成的中间含硅化合物的扩散来控制。反应性边界层内的臭氧或原子氧的消耗在高TEOS流量下成为速率限制，而气相聚合反应在高压下降低速率。在643 K的反应，但在较高的沉积温度下仍然存在差异，与公布的速率数据接近。据信，该模型高估了在高温下的中间体的形成速率，因为该机制未能充分考虑原子氧和TEOS氧化反应的有机碎片之间的气相氧化反应。
Chemical Vapor Deposition (CVD) of silicon dioxide from tetraethoxysilane (TEOS) and ozone was modeled using CHEMKIN-III simulation software. Modeling assumed that film growth proceeds via the fast oxidation of silicon-bearing compounds by ozone or atomic oxygen at the substrate surface. The objective of the study was to use kinetic data from the literature to develop a reliable reaction model with no more than one adjustable parameter. The simulations established that direct contribution of TEOS surface reactions to film growth is negligible in TEOS/ozone CVD. Depositions at low TEOS flow rates are controlled by diffusion of intermediate silicon-containing compounds formed in the gas phase by reaction of TEOS with atomic oxygen. The depletion of ozone or atomic oxygen within the reactive boundary layer becomes rate limiting at high TEOS flows, while gas-phase polymerization reactions reduce the rate at high pressures. Close agreement with the published rate data was obtained for reactions at 643 K but discrepancies remain at higher deposition temperatures. It is believed that the model overpredicts the formation rate of intermediates at high temperatures because the mechanism fails to fully account for gas-phase oxidation reactions between atomic oxygen and the organic fragments from TEOS oxidation reactions.