Simulation Study for HTCVD of SiC Using First-Principles Calculation and Thermo-Fluid Analysis

Yasuo Kito; Emi Makino; Kenji Inaba; Norikazu Hosokawa; Hidehiko Hiramatsu; Jun Hasegawa; Shoichi Onda; Hideyuki Tsuboi; Hiromitsu Takaba; Akira Miyamoto

doi:10.4028/www.scientific.net/MSF.600-603.47

Paper Titles

Application of 6H to 4H Polytype Conversion to Effective Reduction of Micropipes in 4H SiC Crystals
p.31

Status of Large Diameter SiC Single Crystals at II-VI
p.35

Occurrence of Polytype Transformation during Nitrogen Doping of SiC Bulk Wafer
p.39

The Observation and Explanation of Electricity Switch Phenomena in PVT Grown SiC Bulk
p.43

Simulation Study for HTCVD of SiC Using First-Principles Calculation and Thermo-Fluid Analysis
p.47

Computational Analysis of SiC HTCVD from Silicon Tetrachloride and Propane
p.51

Growth of 2H-SiC Single Crystals in a C-Li-Si Ternary Melt System
p.55

Solution Growth of SiC Crystals in Si-Ti and Si-Ge-Ti Solvents
p.59

Stability Growth Condition for 3C-SiC Crystals by Solution Technique
p.63

HomeMaterials Science ForumMaterials Science Forum Vols. 600-603Simulation Study for HTCVD of SiC Using...

Simulation Study for HTCVD of SiC Using First-Principles Calculation and Thermo-Fluid Analysis

Abstract:

A simulation study for high temperature chemical vapor deposition (HTCVD) of silicon carbide (SiC) is presented. Thermodynamic properties of the species were derived from the first-principles calculations in order to evaluate the activation energy (Ea) in the gas phase reaction. Pathways producing SiC2 and Si2C from SiCl4-C3H8-H2 system were proposed to investigate the effect of chlorinated species on HTCVD. A thermo-fluid analysis was carried out to estimate the partial pressures of the species. It was found that the main sublimed species of Si, SiC2, Si2C decreased in the SiCl4-C3H8-H2 system compared to the SiH4-C3H8-H2 system. This suggests that the growth rate would decrease in the atmosphere of chlorinated species at around 2500°C.