Theoretical study of the gas-phase reaction of hexachlorodisilane by thermodynamic analysis and kinetics calculation
Year: 2023
Type: article
Abstract: We conducted thermodynamic analysis and kinetics calculations for hexachlorodisilane (Si 2 Cl 6 ), which is used as source gas for the CVD of silicon nitride films. Thermodynamic analysis clarified Si 2 Cl 6 decomposes almost completely to SiCl 4 and SiCl 2 in the range of 600 °C–1100 °C under equilibrium condition. Therefore, it is estimated that the main gas-phase reaction of Si 2 Cl 6 is represented by the reaction Si 2 Cl 6 → SiCl 4 + SiCl 2 . Thermodynamic analysis also shows that the Si 2 Cl 6 system has a larger equilibrium partial pressure of SiCl 2 than SiH x Cl 4-x (x = 1 ~ 3) systems. Kinetics calculations revealed Si 2 Cl 6 decomposes by 90% in 0.11 s at 600 °C, and 0.55 × 10 −3 s at 800 °C, respectively. The time-dependent pyrolysis ratio of Si 2 Cl 6 becomes larger as the total pressure decreases at 600 °C. On the other hand, the ratio is almost the same regardless of total pressure at 800 °C. These results will help optimize CVD process conditions using Si 2 Cl 6 .
Language: English
Topic: Thermal and Kinetic Analysis
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $1,500
OpenAlex ID: W4388978769