Dynamical Simulation of SiO2/4H-SiC Interface on C-Face Oxidation Process: From First Principles

Abstract:

Article Preview

We perform a dynamical simulation of the SiO2/4H-SiC C-face interface oxidation process at 2500K using first-principles molecular dynamics based on plane waves, supercells, and the projector-augmented wave method. The slab model is used for the simulation. Oxygen molecules are dissociated in the SiO2 layers or by Si atoms at the SiO2 interface. The O atoms of the O2 molecule oxidize the C atoms at the SiC interface and form Si-C-O or CO2-C complexes. COx (x=1 or 2) molecules are desorbed from these complexes by thermal motion. COx molecules diffuse in the SiO2 layers when they do not react with dangling bonds. COx molecule formed during C-face oxidation more easily diffuse than those formed during Si-face oxidation in the interface region.

Info:

Periodical:

Materials Science Forum (Volumes 600-603)

Edited by:

Akira Suzuki, Hajime Okumura, Tsunenobu Kimoto, Takashi Fuyuki, Kenji Fukuda and Shin-ichi Nishizawa

Pages:

591-596

DOI:

10.4028/www.scientific.net/MSF.600-603.591

Citation:

T. Ohnuma et al., "Dynamical Simulation of SiO2/4H-SiC Interface on C-Face Oxidation Process: From First Principles", Materials Science Forum, Vols. 600-603, pp. 591-596, 2009

Online since:

September 2008

Export:

Price:

$35.00

In order to see related information, you need to Login.

In order to see related information, you need to Login.