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

被引：1

作者：

Pizzagalli, L

Catellani, A

Galli, G

Gygi, F

Baratoff, A

机构：

[1] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA

[2] CNR, MASPEC, I-43100 Parma, Italy

[3] Univ Basel, Dept Phys & Astron, CH-4056 Basel, Switzerland

来源：

SURFACE REVIEW AND LETTERS | 1999年 / 6卷 / 06期

关键词：

D O I：

10.1142/S0218625X99001268

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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) surface. 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) surface covered by a nitrogen monolayer is an inert substrate which inhibits growth.

引用

页码：1143 / 1150

页数：8

共 48 条

[1] Temperature-induced semiconducting c(4 x 2) double left right arrow metallic (2 x 1) reversible phase transition on the beta-SiC(100) surface [J].