[16p-4C-1~9] 13.8 Compound and power electron devices and process technology

[16p-4C-3] First-plinciple calculations for a mechanism of carbon annihilation during the SiC oxidation

〇Yuichiro Matsushita¹, Atsushi Oshiyama¹ (1.The Univ. of Tokyo)

Keywords:SiC,oxidation,ab initio

Silicon Carbide (SiC) is a promising material for power electronics devices due to its peculiar properties such as wide band gaps and high durability in harsh environment. Thermal oxidation of SiC substrates is commonly used to form insulating SiO₂ films in MOSFET structures, ensuring the good connectivity with Si technology. However, the mobility of current MOSFET is less than 10% of the bulk mobility, indicative of the existence of defects at the interface. In this work, we have performed first-principle simulations based on the density functional theory for the initial oxidation of Si- and C-faces of 4H-SiC. We have explored most feasible reaction pathways, corresponding energy barriers, and defect levels.