Thermodynamic Comparison of Silicon Carbide CVD Process between CH3SiCl3-H2 and C3H8-SiCl4-H2 Systems

In order to understand the difference in SiC deposition between the $CH_3SiCl_3-H_2$ and $C_3H_8-SiCl_4-H_2$ systems, we calculate the phase stability among ${\beta}$-SiC, graphite and silicon. We constructed the phase-diagram of ${\beta}$-SiC over graphite and silicon via computational thermodynamic calculation considering pressure (P), temperature (T) and gas composition (C) as variables. Both P-T-C diagrams showed a very steep phase boundary between the SiC+C and SiC region perpendicular to the H/Si axis, and also showed an SiC+Si region with a H/Si value of up to 6700 in the $C_3H_8-SiCl_4-H_2$, and 5000 in the $CH_3SiCl_3-H_2$ system. This difference in phase boundaries is explained by the ratio of Cl to Si, which is 4 for the $C_3H_8-SiCl_4-H_2$ system and 3 for the $C_3H_8-SiCl_4-H_2$ system. Because the C/Si ratio is fixed at 1 in the $CH_3SiCl_3-H_2$ system while it can be variable in the $C_3H_8-SiCl_4-H_2$ system, the functionally graded material is applicable for better mechanical bonding during SiC coating on graphite substrate in the $C_3H_8-SiCl_4-H_2$ system.

탄화규소 CVD 공정에서 CH3SiCl3-H2과 C3H8-SiCl4-H2계의 열역학적 비교