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
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
[21]   ADDITIONAL DIMER-ROW STRUCTURE OF 3C-SIC(001) SURFACES OBSERVED BY SCANNING-TUNNELING-MICROSCOPY [J].
HARA, S ;
MISAWA, S ;
YOSHIDA, S ;
AOYAGI, Y .
PHYSICAL REVIEW B, 1994, 50 (07) :4548-4553
[22]   SELF-LIMITING GROWTH ON THE BETA-SIC(001) SURFACE [J].
HARA, S ;
AOYAGI, Y ;
KAWAI, M ;
MISAWA, S ;
SAKUMA, E ;
YOSHIDA, S .
SURFACE SCIENCE, 1992, 273 (03) :437-441
[23]  
Kackell P, 1997, SURF SCI, V391, pL1183
[24]   SURFACE-STRUCTURE AND COMPOSITION OF BETA-SIC AND 6H-SIC [J].
KAPLAN, R .
SURFACE SCIENCE, 1989, 215 (1-2) :111-134
[25]   Structure of 3x2, 5x2, and 7x2 reconstructed 3C-SiC(001) surfaces obtained during epitaxial growth: Molecular dynamics simulations [J].
Kitabatake, M ;
Greene, JE .
APPLIED PHYSICS LETTERS, 1996, 69 (14) :2048-2050
[26]  
KITAMURA J, 1997, P 15 S MAT SCI ENG R
[27]  
KITAMURA J, UNPUB
[28]   LARGE-BAND-GAP SIC, III-V NITRIDE, AND II-VI ZNSE-BASED SEMICONDUCTOR-DEVICE TECHNOLOGIES [J].
MORKOC, H ;
STRITE, S ;
GAO, GB ;
LIN, ME ;
SVERDLOV, B ;
BURNS, M .
JOURNAL OF APPLIED PHYSICS, 1994, 76 (03) :1363-1398
[29]   Reconstruction of the Si-terminated β-SiC(100) surface [J].
Pizzagalli, L ;
Joachim, C ;
Mayne, A ;
Dujardin, G ;
Semond, F ;
Douillard, L ;
Soukiassian, P .
THIN SOLID FILMS, 1998, 318 (1-2) :136-139
[30]  
PIZZAGALLI L, 1999, IN PRESS PHYS REV B