Molecular dynamics studies on vacancy movement in crystalline silicon

IMR OpenIR

	Molecular dynamics studies on vacancy movement in crystalline silicon
	Qiao, YH; Wang, SQ
通讯作者	Wang, SQ()
	2005-03-11
发表期刊	ACTA METALLURGICA SINICA
ISSN	0412-1961
卷号	41 期号:3 页码:231-234
摘要	A molecular dynamics (MD) simulations was performed to study the thermodynamic behavior of vacancies in crystalline silicon. In the simulation, we adopt the Stillinger-Weber potential used commonly for silicon to describe the interaction between atoms. Two kinds of methods were employed to trace the jump of a vacancy, and its activation energy in the crystal was also calculated. The statistic explanation of the definition of vacancy jump proposed by Thomas was given. Besides, we find that most of vacancy jumps are performed passing through a metastable state.
关键词	Si crystal vacancy migration energy molecular dynamics diffusion
收录类别	SCI
语种	英语
WOS研究方向	Metallurgy & Metallurgical Engineering
WOS类目	Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000228107800002
出版者	SCIENCE CHINA PRESS
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/83037
专题	中国科学院金属研究所
通讯作者	Wang, SQ
作者单位	Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Qiao, YH,Wang, SQ. Molecular dynamics studies on vacancy movement in crystalline silicon[J]. ACTA METALLURGICA SINICA,2005,41(3):231-234.
APA	Qiao, YH,&Wang, SQ.(2005).Molecular dynamics studies on vacancy movement in crystalline silicon.ACTA METALLURGICA SINICA,41(3),231-234.
MLA	Qiao, YH,et al."Molecular dynamics studies on vacancy movement in crystalline silicon".ACTA METALLURGICA SINICA 41.3(2005):231-234.