Bonding Arrangements at the Si-SiO{sub 2} and SiC-SiO{sub 2} Interfaces and a Possible Origin of their Contrasting Properties

Journal Article · Mon Jan 31 00:00:00 EST 2000 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.84.943· OSTI ID:20215361

Buczko, Ryszard; Pennycook, Stephen J; Pantelides, Sokrates T

We report ab initio calculations designed to explore the relative energetics of different interface bonding structures. We find that, for Si (001), abrupt (no suboxide layer) interfaces generally have lower energy because of the surface geometry and the softness of the Si-O-Si angle. However, two energetically degenerate phases are possible at the nominal interface layer, so that a mix of the two is the likely source of the observed suboxide and dangling bonds. In principle, these effects may be avoidable by low-temperature deposition. In contrast, the topology and geometry of SiC surfaces is not suitable for abrupt interfaces. (c) 2000 The American Physical Society.

• OSTI ID: 20215361
• Journal Information: Physical Review Letters, Vol. 84, Issue 5; Other Information: PBD: 31 Jan 2000; ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
SILICON CARBIDES
SILICON OXIDES
SILICON
INTERFACES
BONDING
SURFACE ENERGY
MOSFET
THEORETICAL DATA