Revisiting the Thermochemical Database of Si-C-H System Related to SiC CVD Modeling

摘要

Chemical vapor deposition of silicon carbide (SiC-CVD) is a complex process involving a Si-C-H system wherein a large number of reaction steps occur. To simulate such a system requires knowledge of thermochemical and transport properties of all the species involved in the process. The accuracy of this information consequently becomes a crucial factor toward the correctness of the outcome prediction. In this work, the thermochemical data for several important growth species for SiC CVD using the SiH_4/CxH_y/H_2 system has been calculated. For the most part an excellent agreement is seen with previously reported data, however for the organosilicons a larger deviation is detected and in particular for the CH_3SiH_2SiH species which shows a stark deviation from the CHEMKIN database. Impacts of the improved database on SiC CVD modeling are presented in computational fluid dynamics calculations, manifesting the significance of an accurate database.