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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.
2012
发表期刊Applied Surface Science
卷号261期号:15页码:690-696
ISSN0169-4332
摘要

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.


关键词Embedded-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
学科领域稀薄气体力学
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收录类别SCI ; EI
语种英语
WOS记录号WOS:000310442500104
课题组名称LHD微尺度和非平衡流动
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被引频次:21[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://dspace.imech.ac.cn/handle/311007/45754
专题高温气体动力学国家重点实验室
通讯作者Fan, J (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China.
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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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