Structural and electronic properties of clean and defected Si-SiC(001) surfaces

Author

Galli, Giulia ; Gygi, Francois ; Catellani, Alessandra

Author_Institution

Lawrence Livermore Nat. Lab., CA, USA

fYear

1998

fDate

1998

Firstpage

279

Lastpage

282

Abstract

We have studied the reconstructions and electronic properties of both clean and defected Si-terminated (001) surfaces of cubic SiC, by performing first principles computations within density functional theory. We find that the unstrained bulk exhibits a stable p(2×1) reconstruction, whereas a bulk under tensile stress shows a c(4×2) reconstruction. Furthermore our calculations indicate that ad-dimers are common defects on the Si-terminated SiC(001) surface. These results permit the interpretation of recent STM and X-ray-photoemission experimental data

Keywords

ab initio calculations; density functional theory; silicon compounds; surface reconstruction; surface states; wide band gap semiconductors; SiC; ad-dimers; c(4×2) reconstruction; clean (001) surfaces; cubic SiC; defected Si-terminated (001) surfaces; density functional theory; electronic properties; first principles computations; structural properties; tensile stress; unstrained bulk; Bonding; Density functional theory; Geometry; Image reconstruction; Laboratories; Silicon carbide; Surface cleaning; Surface fitting; Surface reconstruction; Tensile stress;

fLanguage

English

Publisher

ieee

Conference_Titel

Semiconducting and Insulating Materials, 1998. (SIMC-X) Proceedings of the 10th Conference on

Conference_Location

Berkeley, CA

Print_ISBN

0-7803-4354-9

Type

conf

DOI

10.1109/SIM.1998.785125

Filename

785125