ISSN:
1662-9752
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Notes:
We performed the dynamical simulation of the SiO2/4H-SiC(0001) interface oxidationprocess using first-principles molecular dynamics based on plane waves, supercells, and the projectoraugmented wave method. The slab model has been used for the simulation. The heat-and-cool methodis used to prepare the initial interface structure. In this initial interface structure, there is no transitionoxide layer or dangling bond at the SiO2/SiC interface. As the trigger of the oxidation process, thecarbon vacancy is introduced in the SiC layer near the interface. The oxygen molecules are added oneby one to the empty sphere in the SiO2 layer near the interface in the simulation of the oxidationprocess. The molecular dynamics simulation is carried out at 2500 K. The oxygen molecule isdissociated and forms bonds with the Si atom in the SiO2 layer. The atoms of Si in the SiC layer at theSiO2/4H-SiC(0001) interface are oxidized to form the SiO2 layer. Carbon clusters, which areconsidered one of the candidate structures of the interface traps, are formed in the interface layer.Oxygen molecules react with the carbon clusters and formed CO molecules
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/02/17/transtech_doi~10.4028%252Fwww.scientific.net%252FMSF.556-557.615.pdf
Permalink