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Molecular dynamics studies on vacancy movement in crystalline silicon
Qiao, YH; Wang, SQ
Corresponding AuthorWang, SQ()
2005-03-11
Source PublicationACTA METALLURGICA SINICA
ISSN0412-1961
Volume41Issue:3Pages:231-234
AbstractA 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.
KeywordSi crystal vacancy migration energy molecular dynamics diffusion
Indexed BySCI
Language英语
WOS Research AreaMetallurgy & Metallurgical Engineering
WOS SubjectMetallurgy & Metallurgical Engineering
WOS IDWOS:000228107800002
PublisherSCIENCE CHINA PRESS
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/83037
Collection中国科学院金属研究所
Corresponding AuthorWang, SQ
AffiliationChinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China
Recommended Citation
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.
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