[14p-P9-1~18] 15.6 Group IV Compound Semiconductors (SiC)

[14p-P9-11] First-Principles Molecular Dynamics Simulations of O₂ Oxidation in 4H-SiC/SiO₂ ~Differences between SiC(0001)_Si and (000-1)_C faces~

〇Takahiro Yamasaki^1,2, Nobuo Tajima^1,2, Tomoaki Kaneko^1,2, Jun Nara^1,2, Tatsuo Schimizu³, Koichi kato⁴, Takao Ohno^1,2 (1.NIMS, 2.MARCEED, 3.Toshiba R&D Center, 4.IIS, Univ. of Tokyo)

Keywords:SiC, oxidation, First-principles molecular dynamics

We have prepared a 4H-SiC(0001)_Si/amorphous SiO₂ structure, and executed first-principles molecular dynamics simulations of O₂ oxidation at 2000K. O₂ molecules were introduced at regular interval times (1-3ps). Comparing for the case of SiC(000-1)_C/SiO₂ structure, desorption rate of C-related molecules as CO and CO₂ is almost same, whereas growth of C-clusters at the interface region and structural changes accompanied by oxidation are different. We discuss about differences of features observed in oxidation processes of SiC(0001)_Si/SiO₂ and (000-1)_C/SiO₂.