Theoretical study of the (3x2) reconstruction of beta-SiC(001)

Authors
Pizzagalli, L Catellani, A Galli, G Gygi, F Baratoff, A
Citation
L. Pizzagalli et al., Theoretical study of the (3x2) reconstruction of beta-SiC(001), PHYS REV B, 60(8), 1999, pp. R5129-R5132
Citations number
32
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B-CONDENSED MATTER
ISSN journal
01631829 → ACNP
Volume
60
Issue
8
Year of publication
1999
Pages
R5129 - R5132
Database
ISI
SICI code
0163-1829(19990815)60:8<R5129:TSOT(R>2.0.ZU;2-A
Abstract
By means of ab initio molecular dynamics and band-stricture calculations, a s well as using calculated scanning tunneling microscopy (STM) images, we h ave singled out one structural model for the (3 x 2) reconstruction of the Si-terminated (001) surface of cubic SiC, among several proposed in the lit erature. This is an alternate dimer-row model, with an excess Si coverage o f 1/3, yielding STM images in good accord with recent measurements. [S0163- 1829(99)51232-0].