不同温度硅纳米薄膜在表面重构下杨氏模量的分子动力学研究
Molecular Dynamics Study on Young's Modulus of Silicon Nanofilms Under Surface Reconstruction at Finite Temperature
王雅斌 1于虹 1谭一云1
作者信息
- 1. 东南大学MEMS教育部重点实验室,江苏,南京,210096
- 折叠
摘要
采用分子动力学方法计算了100K到800K之间(001)面硅纳米薄膜(1nm,2nm厚)[110]与[1-10]两个方向上的杨氏模量.2×1表面重构形成了dimmer键,使[110]方向杨氏模量大于[1-10]方向杨氏模量.纳米薄膜的杨氏模量随着温度升高而下降.热膨胀导致了温度效应.当尺度到达纳米尺度,表面重构和温度效应更加明显.
Abstract
In this paper, we investigate Si (001) nanofilms (1nm and 2nm thickness) Young's modulus under (2×1) surface reconstruction along [110] and [1-10] directions at different temperature from 100K to 800K by Molecular dynamics (MD) is investigated. The (2×1) surface reconstruction leads to formation of dimmers, making Young's moduli along the [110] direction stiffer than the [1-10] direc-tion. Young's moduli decrease as temperature increases. Thermal expansion cause temperature effect .Surface reconstruction and temperature effect are more significant as size is scaled down to nanoscale.
关键词
分子动力学/杨氏模量/表面重构/温度效应Key words
molecular dynamics/young's moduli/surface reconstruction/temperature effect引用本文复制引用
基金项目
国家重点基础研究发展规划(973计划)(2006CB300404)
出版年
2009
NETL
NSTL
维普
万方数据