Nucleation and growth kinetics in semiconductor chemical vapor deposition

Spitzmüller, J.; Fehrenbacher, M.; Rauscher, Hubert; Behm, R. J.

doi:10.1103/physrevb.63.041302

Cited by 8 publications

(4 citation statements)

References 23 publications

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“…In this paper, we present a simple model for the graphene growth by CVD in the presence of methane and hydrogen on the Cu surface under the framework of the Langmuir model of competitive adsorption [19,20], which has also been previously used to model the decomposition of methane on Ni [20] and homogeneous decomposition of SiH 4 [21,22], and the two-dimensional (2D) crystallization thermodynamics [23]. Here, we assume surface adsorption up to a monolayer with carbon and hydrogen adatoms mainly comprising the absorbed '2D gas' coexisting with graphene at the surface.…”

Section: Introductionmentioning

confidence: 99%

Modeling of the self-limited growth in catalytic chemical vapor deposition of graphene

et al. 2013

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The development of wafer-scale continuous single-crystal graphene layers is key in view of its prospective applications. To this end, in this paper, we pave the way towards a graphene growth model in the framework of the Langmuir adsorption theory and two-dimensional crystallization. In particular, we model the nucleation and growth of graphene on copper using methane as a carbon precursor. The model leads to the identification of the range of growth parameters (temperature and gas pressures) that uniquely entails the final surface coverage of graphene. This becomes an invaluable tool to address the fundamental problems of continuity of polycrystalline graphene layers and crystalline grain dimensions. The model shows agreement with the existing experimental data in the literature. On the basis of the 'contour map' for graphene growth developed here and existing evidence of optimized growth of large graphene grains, new insights for engineering wafer-scale continuous graphene films are provided.

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Section: Introductionmentioning

confidence: 99%

Modeling of the self-limited growth in catalytic chemical vapor deposition of graphene

et al. 2013

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“…In general, island nucleation and island growth depend on the deposition temperature, deposition rate, surface diffusion and surface energy and are both conditions that are incompatible. 39,43 Moreover, the relationship between islands growing to a critical size and coalescing with neighboring islands is determined by the atomic diffusion time and temperature. 44 Therefore, to grow NWs under a single deposition condition, the deposition rate must satisfy both the island nucleation and the island growth conditions simultaneously.…”

Section: Resultsmentioning

confidence: 99%

Investigating and understanding the initial growth mechanisms of catalyst-free growth of 1D SiC nanostructures

Choi

2013

CrystEngComm

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“…Similar behaviors were reported by Bernasconi and Ceriotti 55, for the SiH 3 radical. Experimental works of Gates et al 74, Gates and Kulkarni 75, Bronikowski et al 76, and Spitzmuller et al 77, 78 show that highly hydrated adsorbed species as SiH 3 and SiH 2 have a brief lifetime on the surface and quickly decompose to the more stable monohydrate species. The enhanced reactivity of this adsorbed species was confirmed theoretically by Bernasconi and Ceriotti 55 and Lim et al 79, who calculated low energy barriers for both diffusion and decomposition of SiH 3 on the Si(100)2 × 1 surface.…”

Section: Elementary Processesmentioning

confidence: 99%

Challenges of introducing quantitative elementary reactions in multiscale models of thin film deposition

Barbato

Cavallotti

2010

phys. stat. sol. (b)

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The implementation of detailed surface kinetic mechanisms describing the thin film growth dynamics into models of chemical vapor deposition (CVD) reactors has been a challenge for many years. In this article we review the literature concerning the study of the dynamics of the Si(100)2×1 surface and introduce a multiscale model that captures the main features of its reactivity. The model combines the results of ab initio calculations with an atomistic description of the Si surface, obtained using a 3D-kineticMonte Carlo (KMC)model that explicitly accounts for the 2×1 surface reconstruction and the formation and diffusion of Si dimers on a hydrogenated surface. At the atomistic scale, we determined pre-exponential factors and activation energies of hydrogen desorption reactions proceeding through the 2H, 3H, and 4H mechanisms. The calculated kinetic constants were embedded in the KMC model and used to simulate literature TPD experimental data. The simulations were used to fit the activation energies of hydrogen desorption reactions, which showed that DFT calculations performed with B3LYP functionals are likely to overestimate hydrogen desorption energies by up to 9 kcalmol^-1, which was confirmed by successive ab initio calculations. Two examples of the solution of the KMC model in conjunction with a reactor scale model are provided, in which the coupling was performed adopting both a hierarchic and a two-way coupling strategy.We found that in the plasma deposition of nanocrystalline silicon performed at low substrate temperatures the growth proceeds through a layer-by-layer mechanism on a surface almost completely covered by hydrogen. The application of the same model to the simulation of the thermal CVD of Si showed that at intermediate growth temperatures, when the hydrogen surface concentration is high, a new hydrogen desorption mechanism, in which Si adatoms play an important role, is active. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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Nucleation and growth kinetics in semiconductor chemical vapor deposition

Cited by 8 publications

References 23 publications

Modeling of the self-limited growth in catalytic chemical vapor deposition of graphene

Modeling of the self-limited growth in catalytic chemical vapor deposition of graphene

Investigating and understanding the initial growth mechanisms of catalyst-free growth of 1D SiC nanostructures

Challenges of introducing quantitative elementary reactions in multiscale models of thin film deposition

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