1:30 PM - 3:30 PM
[21p-P10-14] First-Principles Molecular Dynamics Simulations of 4H-SiC Oxidation ~C-condensation and CO desorption through O2 oxidation~
Keywords:power device,oxidation mechanism,first-principles molecular dynamics
First-principles molecular-dynamics simulations for understanding the O2-molecule oxidation mechanism of SiC accompanied with CO desorption by using the program PHASE/0. An initial interfacial structure of SiC(000-1)C/amorphous-SiO2 is modeled based on the previous our studies. CO desorption phenomena are observed after 10 O2 molecule insertion into the interfacial region. Majority of the phenomena are through Si-C(=O)O-Si bonding states.