Article ID Journal Published Year Pages File Type
1592162 Solid State Communications 2014 5 Pages PDF
Abstract

•A periodical structure with low lattice mismatch on the Si(−220)/6H–SiC(0001) interface has been confirmed by HRTEM.•First-principles calculations based on the density functional theory are employed to understand the interface structure.•The interaction of C-2p and Si-3p states at the interface may introduce structural defects in subsequently epitaxial Si film.•It is theoretically easier to deposit Si(−220) films on Si-faced 6H–SiC(0001) substrates at a relatively low temperature.

A periodical structure with low lattice mismatch at Si(−220)/6H–SiC(0001) interface has been confirmed by HRTEM. Corresponding to the observed interface structure, the first-principles calculations based on the density functional theory are employed to understand the bonding mechanism of the surface states. It is shown that the combination of Si with C-terminated 6H–SiC surface is more stable than that with Si-terminated surface, but a strong fold caused by considerable interaction of C-2p and Si-3p states at the interface with C-termination may introduce a high density of structural defects in the subsequently epitaxial Si film. Meanwhile, relaxation energy of the interface with C-terminated 6H–SiC surface is bigger than that with Si-terminated surface. It means that it is easier to deposit Si films in (−220) orientation on Si-faced 6H–SiC(0001) substrates at a relative low temperature.

Related Topics
Physical Sciences and Engineering Materials Science Materials Science (General)
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