Title :
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
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;
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
DOI :
10.1109/SIM.1998.785125
