Theoretical study of Si and N adsorption on the Si-terminated SiC(001) surface

Authors
Pizzagalli, L Catellani, A Galli, G Gygi, F Baratoff, A
Citation
L. Pizzagalli et al., Theoretical study of Si and N adsorption on the Si-terminated SiC(001) surface, SURF REV L, 6(6), 1999, pp. 1143-1150
Citations number
47
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SURFACE REVIEW AND LETTERS
ISSN journal
0218625X → ACNP
Volume
6
Issue
6
Year of publication
1999
Pages
1143 - 1150
Database
ISI
SICI code
0218-625X(199912)6:6<1143:TSOSAN>2.0.ZU;2-H
Abstract
We report the results of first principles molecular dynamics simulations of the adsorption of Si and N atoms on a Si-terminated p(2 x 1) SiC(001) surf ace. In particular, we discuss different structural models for the Si-rich (3 x 2) surface, and the adsorption of 1/8, 1/2 and 1 monolayer nitrogen on the p(2 x 1) surface. Our simulations show that a SiC(001)-p(2 x 1) surfac e covered by a nitrogen monolayer is an inert substrate which inhibits grow th.