Molecular dynamics simulation of silicon nanostructures

被引：27
作者：
Moura, CS
Amaral, L
机构：
[1] Mat Sci Program, BR-9109970 Porto Alegre, RS, Brazil
[2] Univ Fed Rio Grande Sul, Inst Phys, BR-91501970 Porto Alegre, RS, Brazil
来源：
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS | 2005年 / 228卷
关键词：
molecular dynamics; silicon; irradiation;
D O I：
10.1016/j.nimb.2004.10.019
中图分类号：
TH7 [仪器、仪表];
学科分类号：
0804 ; 080401 ; 081102 ;
摘要：
A silicon nanowire can be seen as a very small stick taken out of a bulk structure. Recent works show that they can be synthesized experimentally. This work initiates a series of Molecular Dynamics simulation studies of such structures. The first step towards this goal is the choice of the potential best suited to represent the physics of such a system. We have compared the two most popular potentials for bulk silicon: Stillinger-Weber and Tersoff. Our calculations show that the latter potential seem to represent better the reconstruction of the nanowire surface. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码：37 / 40
页数：4
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