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

收藏

页码：1143 / 1150

页数：8

相关论文

共 48 条

[31]

PONCE FA, 1995, GALLIUM NITRIDE RELA

[32] STRUCTURAL-ANALYSIS OF THE BETA-SIC(100)-(2X1) SURFACE RECONSTRUCTION BY AUTOMATED TENSOR LEED [J].

POWERS, JM ;

WANDER, A ;

VANHOVE, MA ;

SOMORJAI, GA .

SURFACE SCIENCE, 1992, 260 (1-3) :L7-L10

[33] 1ST-PRINCIPLES STUDY OF THE ATOMIC RECONSTRUCTIONS AND ENERGIES OF GA-STABILIZED AND AS-STABILIZED GAAS(100) SURFACES [J].

QIAN, GX ;

MARTIN, RM ;

CHADI, DJ .

PHYSICAL REVIEW B, 1988, 38 (11) :7649-7663

[34] Performance of 3C-SiC thin films as protective coatings for silicon-micromachined atomizers [J].

Rajan, N ;

Zorman, CA ;

Mehregany, M ;

DeAnna, R ;

Harvey, R .

THIN SOLID FILMS, 1998, 315 (1-2) :170-178

[35] First-principles calculations of beta-SiC(001) surfaces [J].

Sabisch, M ;

Kruger, P ;

Mazur, A ;

Rohlfing, M ;

Pollmann, J .

PHYSICAL REVIEW B, 1996, 53 (19) :13121-13132

[36] Atomic structure of the beta-SiC(100)-(3x2) surface [J].

Semond, F ;

Soukiassian, P ;

Mayne, A ;

Dujardin, G ;

Douillard, L ;

Jaussaud, C .

PHYSICAL REVIEW LETTERS, 1996, 77 (10) :2013-2016

[37] Direct observation of a beta-SiC(100)-c(4x2) surface reconstruction [J].

Soukiassian, P ;

Semond, F ;

Douillard, L ;

Mayne, A ;

Dujardin, G ;

Pizzagalli, L ;

Joachim, C .

PHYSICAL REVIEW LETTERS, 1997, 78 (05) :907-910

[38] Highly stable Si atomic line formation on the beta-SiC(100) surface [J].

Soukiassian, P ;

Semond, F ;

Mayne, A ;

Dujardin, G .

PHYSICAL REVIEW LETTERS, 1997, 79 (13) :2498-2501

[39] Structural properties of cubic GaN epitaxial layers grown on beta-SiC [J].

Teles, LK ;

Scolfaro, LMR ;

Enderlein, R ;

Leite, JR ;

Josiek, A ;

Schikora, D ;

Lischka, K .

JOURNAL OF APPLIED PHYSICS, 1996, 80 (11) :6322-6328

[40] THEORY OF THE SCANNING TUNNELING MICROSCOPE [J].

TERSOFF, J ;

HAMANN, DR .

PHYSICAL REVIEW B, 1985, 31 (02) :805-813

← 1 2 3 4 5 →