Iron silicides formation on Si (100) and (111) surfaces through theoretical modeling of sputtering and annealing

Чепкасов, И. В.; Baidyshev, V. S.; Sukhanova, Ekaterina V.; Visotin, Maxim A.; Süle, P.; Попов, Захар И.

doi:10.1016/j.apsusc.2020.146736

Cited by 7 publications

(4 citation statements)

References 67 publications

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“…Our simulation process aims to explain the mechanism of the experiment and provide guidance for the experimental Table 1. MD calculation results for the formation energy of He ion at tetrahedral interstitial Si and C sites (HeT Si and HeT C , respectively) and defects in SiC using the potential functions of Bringuier et al [24], and Pizzagalli and David [21] parameters, which is consistent with the establishment of such studies [38][39][40][41][42][43][44].…”

Section: Model Setupssupporting

confidence: 79%

Numerical study of silicon vacancy color centers in silicon carbide by helium ion implantation and subsequent annealing

Fan¹,

Song²,

Xu³

et al. 2021

Nanotechnology

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Molecular dynamics (MD) simulation is adopted to discover the underlying mechanism of silicon vacancy color center and damage evolution during helium ions implanted four-hexagonal silicon carbide (4H-SiC) and subsequent annealing. The atomic-scale mechanism of silicon vacancy color centers in the process of He ion implantation into 4H-SiC can be described more accurately by incorporating electron stopping power for He ion implantation. We present a new method for calculating the silicon vacancy color center numerically, which considers the structure around the color center and makes the statistical results more accurate than the Wigner-Seitz defect analysis method. At the same time, photoluminescence (PL) spectroscopy of silicon vacancy color center under different helium ion doses is also characterized for validating the numerical analysis. The MD simulation of the optimal annealing temperature of silicon vacancy color center is predicted by the proposed new method.

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Section: Model Setupssupporting

confidence: 79%

Numerical study of silicon vacancy color centers in silicon carbide by helium ion implantation and subsequent annealing

Fan¹,

Song²,

Xu³

et al. 2021

Nanotechnology

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“…More and more studies used MD simulation to obtain the simultaneous information during the deposition process. 44,45 In the literature of MD simulations, the incident energy of injected atoms was predefined at certain values. This was sufficient to simulate the deposition progress when the incident energy of injected atoms was well controlled, such as the deposition using molecular beam epitaxy (MBE).…”

Section: Introductionmentioning

confidence: 99%

“…Hassani et al and Wu et al applied MD simulations to study the deposition behaviors of Al and Ni on Ni(001), Ni(110), and Ni(111) substrates. − The atom jumping behaviors on the substrate surface and the island coalescence progress are well described. More and more studies used MD simulation to obtain the simultaneous information during the deposition process. , …”

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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“…(See for example recent publications. [1][2][3] Layers of low-melting metals on silicon have not been studied enough. The most indicative include works, [4][5][6][7][8][9][10][11][12][13][14][15][16][17] where the atomic and electronic structure of the ultra-thin layers on Si(100) and Si(111) surfaces was studied.…”

Section: Introductionmentioning

confidence: 99%

Electronic Structure of Li, Be, and Al Ultrathin Coverings on the Si(100) Surface

Zavodinsky,

Gorkusha

2024

Orient J Phys Sciences

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Within the framework of density functional theory and the pseudopotential method, calculations of the density of electronic states of the system “Si(100) substrate plus disordered two-dimensional metal layers (Li, Be or Al)” with a thickness of one to four single-atomic layers were carried out during growth at 0°K. It is shown that the electronic structure of the first single-atomic layers of these metals on Si(100) has band gaps. The maximum band gap was found in the Be-Si system (1.03 eV for a single-atomic layer). In this system, the band gap disappears when four single-atomic layers are deposited. In the Li-Si system (0.98 eV for a single-atomic layer) it disappears for two single-atomic layers. In the Al-Si–system (0.50 eV with four single-atomic layers), the band gap disappears for three single-atomic layers. This behavior of the band gap can be explained by the passivation of the substrate surface states and the peculiarities of the electronic structure of the adsorbed metals.

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Iron silicides formation on Si (100) and (111) surfaces through theoretical modeling of sputtering and annealing

Cited by 7 publications

References 67 publications

Numerical study of silicon vacancy color centers in silicon carbide by helium ion implantation and subsequent annealing

Numerical study of silicon vacancy color centers in silicon carbide by helium ion implantation and subsequent annealing

Transformation and Control of Crystal Structures on Electronic Thin Films

Electronic Structure of Li, Be, and Al Ultrathin Coverings on the Si(100) Surface

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