Molecular dynamics investigation of deposition and annealing behaviors of Cu atoms onto Cu(001) substrate

Jing, Xing-bin; Liu, Zuli; Yao, K.L.

doi:10.1016/j.apsusc.2011.10.130

Cited by 23 publications

(5 citation statements)

References 25 publications

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“…The copper silicides can be found in the interface due to the atom interface reaction. This result is in agreement with the earlier work, Jing et al [45] reported that atomic penetration is more important by increasing incident energy. The phenomenon of penetration is already reported in simulation [31], and experiments.…”

Section: Atomic Distributionsupporting

confidence: 94%

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Effect of stepped Si (001) substrate on Cu thin film growth

Lablali,

Mes-adi,

Eddiai

et al. 2023

Surf. Topogr.: Metrol. Prop.

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The growth processes of Cu thin film on stepped Si(001) substrate were investigated using molecular dynamics simulation. The modified embedded atom method was used to describe the atomic interaction between Cu-Cu, Si-Si, and Si-Cu. In this study, four different Si(001) substrate configurations were examined: i) flat Si(001) substrate; ii) stepped Si surface with 3-monoatomic layers step; iii) Stepped Si surface with 5-monoatomic layers step; iiii) stepped surface with 7-monoatomic layers. Our aim here is to investigate the effect of stepped substrate on the structure, the surface roughness, and the morphology of deposited Cu thin film. The results show that the Cu film obtained has a crystalline structure based on the radial distribution function. In addition, the morphology of Cu film is not smooth for the different stepped substrates. More precisely, the surface roughness increases when the substrate presents a step and rises with the augmentation of the step height. On the other hand, our results reveal that the penetration of Cu atoms in the simplest case of the flat configuration is limited to the top layer of the substrate. While for the stepped substrate, our findings show that the penetration in the stepped substrate is more important and deeper within the upper terrace compared to the lower terrace. Furthermore, the numerical calculations demonstrate that the step height has no significant effect on the penetration of Cu atoms on the Si(001) stepped substrate. These results are appropriate for the deposition of copper atoms into the stepped substrate of silicon.

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Section: Atomic Distributionsupporting

confidence: 94%

“…This can be explained by the low incident energy, which gives less mobility to the atoms. Similar growth mode has been observed when Cu atoms are deposited on a Cu substrate [45]. The deposited atom rejoined the tiny islands and transformed them into a large island on the substrate until the end of deposition (figure 3(c)).…”

Section: Resultssupporting

confidence: 71%

Effect of stepped Si (001) substrate on Cu thin film growth

Lablali,

Mes-adi,

Eddiai

et al. 2023

Surf. Topogr.: Metrol. Prop.

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“…Especially, the peaks' height increase after annealing, indicating that the crystalline structure of the film is improved. This phenomenon is similar to the result presented by Jing et al [56] and Wu et al [37] reports.…”

Section: Coating and Annealing Processsupporting

confidence: 93%

Mechanical characteristics of Ni₅₀Co₅₀/Ni substrate during indentation by molecular dynamics

Pham¹,

Fang²,

Nguyen³

et al. 2022

Modelling Simul. Mater. Sci. Eng.

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Coating an alloys film onto a metallic surface could dramatically improve the surface quality. This report studies the microstructure and intermixing phenomena of Ni50Co50 film deposited on Ni(001) substrate with flat, asperity and trench Ni surfaces by molecular dynamics (MD) simulation. The effects of the film thickness and loading velocity on the mechanical properties and deformation behaviours of the sample are also surveyed by indentation. The results represent that the intermixing and lattice structure of the film is enhanced after annealing. Moreover, the sample hardness is improved as the deposited Ni50Co50 film when the film thickness rising from 18 to 38 Å. In contrast, the structure transformation rate and dislocations density of the sample decrease when the Ni50Co50 film becomes thicker. Interestingly, the plastic deformation rate and dislocation density of the sample at the trench surface are higher than the flat one. Besides, the increase of the loading velocity gives rise to the plastic deformation and the local stress rates. The dislocation density of the Ni50Co50/Ni sample is reduced if the loading speed is high enough.

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“…In 2006, Chu and Chen used MD simulation to investigate the roughness and layer coverage under different deposition parameters such as substrate temperature, deposition rate, and incident energy during Cu depositions on Cu substrates . In 2012, Jing et al confirmed the effect of incident energy and further described the nucleation mechanisms under different process parameters . At the same period of time, Zhang et al extended the research onto the Si(001) substrate and predicted that the growth of Cu thin film on the Si substrate is three-dimensional (3D) island growth mode .…”

Section: Introductionmentioning

confidence: 99%

“…35 In 2012, Jing et al confirmed the effect of incident energy and further described the nucleation mechanisms under different process parameters. 36 At the same period of time, Zhang et al extended the research onto the Si(001) substrate and predicted that the growth of Cu thin film on the Si substrate is three-dimensional (3D) island growth mode. 37 After that, Zhu et al also studied the temperature effect and the interfacial stress distribution in the Cu incidence/Si substrate system.…”

Section: Introductionmentioning

confidence: 99%

Transformation and Control of Crystal Structures on Electronic Thin Films

Chang,

Chen,

Chang

et al. 2024

Crystal Growth & Design

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The deposition of Ni film on the Si substrate is important due to its broad applications in electronics, especially at the nanoscale. In this study, we applied molecular dynamics simulations to perform a subatomic observation simultaneously during the process of sputtering Ni on crystalline Si, and a model according to the Thompson formula was developed to simulate the energy distribution of ejected atoms during sputtering. We found the critical parameters controlling interdiffusion behavior were substrate temperature and incident flux of Ni. The substrate temperature significantly leads the crystallinity of the Ni film, where they exhibit amorphous, FCC, and BCC structures at substrate temperatures below 400, 500−600, and beyond 700 K, respectively. The incident flux dominates the crystallinity of the deposited Ni film. Only amorphous Ni forms with 10 atom/ps flux, and fewer defects in the FCC Ni film were observed with 2.5 atom/ps flux. To balance the throughputs and film quality, an incident flux of 2.5 atom/ps is the optimized choice. The detailed understanding enables the control of thin films during electronic fabrication.

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Molecular dynamics investigation of deposition and annealing behaviors of Cu atoms onto Cu(001) substrate

Cited by 23 publications

References 25 publications

Effect of stepped Si (001) substrate on Cu thin film growth

Effect of stepped Si (001) substrate on Cu thin film growth

Mechanical characteristics of Ni₅₀Co₅₀/Ni substrate during indentation by molecular dynamics

Transformation and Control of Crystal Structures on Electronic Thin Films

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Molecular dynamics investigation of deposition and annealing behaviors of Cu atoms onto Cu(001) substrate

Cited by 23 publications

References 25 publications

Effect of stepped Si (001) substrate on Cu thin film growth

Effect of stepped Si (001) substrate on Cu thin film growth

Mechanical characteristics of Ni50Co50/Ni substrate during indentation by molecular dynamics

Transformation and Control of Crystal Structures on Electronic Thin Films

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Product

Resources

About

Mechanical characteristics of Ni₅₀Co₅₀/Ni substrate during indentation by molecular dynamics