CFD modeling of the high-temperature HVPE growth of aluminum nitride layers on c-plane sapphire: from theoretical chemistry to process evaluation
CFD modeling of the high-temperature HVPE growth of aluminum nitride layers on c-plane sapphire: from theoretical chemistry to process evaluation
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DOI：
10.1007/s00214-013-1419-8
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发表时间：
2013-11-29
影响因子：
1.7
通讯作者：
Pons, M.
中科院分区：
文献类型：
--
作者：
Boichot, R.;Coudurier, N.;Pons, M.
本研究提出了数值模拟的基础上相对有限的气相和表面反应的AlN模板和C-平面蓝宝石在很宽的沉积参数范围内的氮化铝层的生长速率。建模结果已被用来设计特定的实验，以了解在高温氢化物气相外延过程中生长的AlN层的晶体质量的工艺参数的影响，进料与NH3，AlCl 3，和H-2。建模结果允许访问非常有趣的本地量，如表面的网站比和本地过饱和度。从局部参数出发建立的通用模型可以很容易地移植到其他反应器的几何形状和工艺条件。在所研究的参数（生长速率、温度、局部过饱和度、气相N/Al比和局部表面位点N/Al比）中，只有生长速率/过饱和度或生长速率/温度关系表现出清晰的工艺窗口，以便在c面蓝宝石或AlN模板上成功地生长外延AlN层。气相N/Al比和局部表面位N/Al比似乎在AlN外延生长中仅起次要作用。
This study presents numerical modeling based on a relatively limited number of gas-phase and surface reactions to simulate the growth rate of aluminum nitride layers on AlN templates and c-plane sapphire in a broad range of deposition parameters. Modeling results have been used to design particular experiments in order to understand the influence of the process parameters on the crystal quality of AlN layers grown in a high-temperature hydride vapor-phase epitaxy process fed with NH3, AlCl3, and H-2. Modeling results allow to access to very interesting local quantities such as the surface site ratio and local supersaturation. The developed universal model starting from local parameters might be easily transferred to other reactor geometry and process conditions. Among the investigated parameters (growth rate, temperature, local supersaturation, gas-phase N/Al ratio, and local surface site N/Al ratio), only the growth rate/supersaturation or growth rate/temperature relationships exhibit a clear process window to use in order to succeed in growing epitaxial AlN layers on c-plane sapphire or AlN templates. Gas-phase N/Al ratio and local surface site N/Al ratio seem to play only a secondary role in AlN epitaxial growth.