Interaction of SiHx precursors with hydrogen-covered Si surfaces:: Impact dynamics and adsorption sites

被引：5
作者：
Cereda, S.
Montalenti, F.
Miglio, Leo
机构：
[1] Univ Milano Bicocca, L NESS, I-20125 Milan, Italy
[2] Univ Milano Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy
来源：
SURFACE SCIENCE | 2007年 / 601卷 / 18期
关键词：
atom-surface interaction; molecular dynamics; empirical calculations; hydrogen; silicon; density functional;
D O I：
10.1016/j.susc.2007.04.086
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：
SiHx (x = 1,2,3) ions impact on Si(001)(1 x 1):H and Si(001)(2 x 1):H surfaces has been studied by classical molecular dynamic simulations, considering an energetic range for the impinging species from 5 to 15 eV. Despite the initial full H coverage a high sticking coefficient has been obtained for all the species under investigation. A considerable fraction of adsorption events causes H removal from the surface while for other simulations a soft landing mechanism of the ions has been observed. Few representative minima for SiH2/ Si(0 01)(2 x 1):H were re-converged by ab initio calculations in order to check the reliability of our results. (C) 2007 Elsevier B.V. All rights reserved.
引用
收藏
页码：3970 / 3973
页数：4
相关论文
共 21 条
[1]   Interplay of physical and chemical aspects in the PECVD and etching of thin solid films [J].
Cavallotti, C ;
Di Stanislao, M ;
Carrà, S .
PROGRESS IN CRYSTAL GROWTH AND CHARACTERIZATION OF MATERIALS, 2004, 48-9 :123-165
[2]   Binding sites for SiH2/Si(001):: A combined ab initio, tight-binding, and classical investigation [J].
Cereda, S. ;
Montalenti, F. ;
Cogoni, M. ;
Branduardi, D. ;
Radny, M. W. ;
Smith, P. V. ;
Miglio, Leo .
SURFACE SCIENCE, 2006, 600 (19) :4445-4453
[3]  
CEREDA S, IN PRESS PHYS REV B
[4]   Role of hydrogen in SiH2 adsorption on Si(100) [J].
Hong, S ;
Chou, MY .
PHYSICAL REVIEW B, 1998, 58 (20) :13363-13366
[5]   Fluorocarbon plasma etching of silicon: Factors controlling etch rate [J].
Humbird, D ;
Graves, DB .
JOURNAL OF APPLIED PHYSICS, 2004, 96 (01) :65-70
[6]   Development of a molecular dynamics potential for Si-H systems and its application to CVD reaction processes [J].
Izumi, S ;
Sato, Y ;
Hara, S ;
Sakai, S .
SURFACE SCIENCE, 2004, 560 (1-3) :1-11
[7]   AB-INITIO MOLECULAR-DYNAMICS SIMULATION OF THE LIQUID-METAL AMORPHOUS-SEMICONDUCTOR TRANSITION IN GERMANIUM [J].
KRESSE, G ;
HAFNER, J .
PHYSICAL REVIEW B, 1994, 49 (20) :14251-14269
[8]   Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
COMPUTATIONAL MATERIALS SCIENCE, 1996, 6 (01) :15-50
[9]  
Maroudas D., 2001, ADV CHEM ENG, V28, P251
[10]   EMPIRICAL INTERATOMIC POTENTIAL FOR SI-H INTERACTIONS [J].
MURTY, MVR ;
ATWATER, HA .
PHYSICAL REVIEW B, 1995, 51 (08) :4889-4893
123