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Growth and properties of Cu thin film deposited on Si(001) substrate: A molecular dynamics simulation study
Zhang J(张俊); Liu C(刘崇); Shu YH(舒勇华); Fan J(樊菁); Fan, J (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China.
Source PublicationApplied Surface Science
2012
Volume261Issue:15Pages:690-696
ISSN0169-4332
Abstract

Molecular dynamics simulations are used to study the growth and properties of Cu thin film deposited on Si(0 0 1) substrate. In particular, growth mode, crystalline structure and orientation, and surface morphology of Cu thin film are investigated in detail. Our simulation results predict that the growth of Cu thin film on Si substrate is three-dimensional island growth mode. In the growth process, interspecies mixing occurs at the interface between Cu film and Si substrate, and the mixing length increases as the increasing of substrate temperature. Based on the common neighbor analysis of atoms, three crystalline structures in the deposited Cu films are indentified. More important, the formed face-centered cubic (fcc) structure of Cu thin film is (0 0 1) oriented with a rotation by 45° along 〈0 0 1〉 axis when the substrate temperature is 300 K, while the fcc structure of Cu thin film becomes to be (1 1 1) oriented when the substrate temperature is 900 K. The crystalline orientation of deposited film could be explained based on the surface free energy of different crystalline planes as well as the geometrical lattice match rule. In addition, surface roughness of Cu thin film decreases as the increasing of substrate temperature due to the enhancement of surface diffusion.


KeywordEmbedded-atom Method Epitaxial-growth Si Molecular Dynamics Method Systems Surface Si(111) Metals Al Thin Film Deposition And Growth Crystalline Structure And Orientation Surface Roughness
Subject Area稀薄气体力学
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Indexed BySCI ; EI
Language英语
WOS IDWOS:000310442500104
DepartmentLHD微尺度和非平衡流动
Classification一类
Citation statistics
Cited Times:37[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/45754
Collection高温气体动力学国家重点实验室
Corresponding AuthorFan, J (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China.
Recommended Citation
GB/T 7714
Zhang J,Liu C,Shu YH,et al. Growth and properties of Cu thin film deposited on Si(001) substrate: A molecular dynamics simulation study[J]. Applied Surface Science,2012,261(15):690-696.
APA Zhang J,Liu C,Shu YH,Fan J,&Fan, J .(2012).Growth and properties of Cu thin film deposited on Si(001) substrate: A molecular dynamics simulation study.Applied Surface Science,261(15),690-696.
MLA Zhang J,et al."Growth and properties of Cu thin film deposited on Si(001) substrate: A molecular dynamics simulation study".Applied Surface Science 261.15(2012):690-696.
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