Growth of three-dimensional SiC clusters on Si modelled by KMC

Schmidt, A. A.; Kharlamov, V. S.; Safonov, K. L.; Trushin, Yu. V.; Журкин, Е. Е.; Cimalla, V.; Ambacher, O.; Pezoldt, Jörg

doi:10.1016/j.commatsci.2004.12.005

Cited by 20 publications

(13 citation statements)

References 20 publications

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“…For small organic molecules, such as pentacene, there is an added complication of anisotropy. In contrast to the extensive literature of the deposition and growth of monatomic species on a substrate [21], KMC studies of anisotropic molecules are sparse [22]. For our sub-monolayer calculations to emulate the deposition of small organic molecules, we used a simplified model in which we depicted the small organic molecule as a dimer, occupying two adjacent sites on a square lattice.…”

Section: Methodsmentioning

confidence: 99%

A Computational Study of the Sub-monolayer Growth of Pentacene

et al. 2006

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Section: Methodsmentioning

confidence: 99%

A Computational Study of the Sub-monolayer Growth of Pentacene

et al. 2006

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“…The model reproduces all main features of the SiC clusters growth on silicon surface. 106 Depending on the distance from step edge the atom has different numbers of neighbours (Fig. 16).…”

Section: Orderingmentioning

confidence: 99%

Multi-Scale Simulation of Nucleation and Growth of Nanoscale SiC on Si

Pezoldt¹,

Kulikov²,

Kharlamov³

et al. 2012

Jnl of Comp & Theo Nano

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The main obstacle of implementing numerical simulations for the prediction of nucleation and epitaxial growth is the variety of physical processes with a considerable difference in time and spatial scales. During the growth of nanostructures and epitaxy deposition of atoms, surface and bulk diffusion, nucleation of two-dimensional and three-dimensional clusters, transitions from two dimensional to three dimensional growth, stress relaxation occur. Thus, it is challenging to describe all of them in the framework of a single physical model. In the present work a multi-scale simulation of the epitaxial growth of silicon carbide nanostructures on silicon using three numerical methods, namely Molecular Dynamics, kinetic Monte Carlo, and the Rate Equations was implemented. Molecular Dynamics was used for the estimation of kinetic parameters of atoms and stress fields at the surface, which are input parameters for the other simulation methods. Kinetic Monte Carlo simulations allowed investigating basic nucleation processes and the transition from two dimensional nucleation to three dimensional cluster growth as well as the ordering of nanoclusters. Furthermore the influence of impurities on the nucleation of nanoscale SiC was studied. The energy barriers values obtained in Molecular Dynamics and the physical model used in the rate equation simulations was validated by Kinetic Monte Carlo. The Rate Equation simulation allowed studying the growth process at larger time scales taking into account the surface stress fields. As a result, a full time scale description spanning over a large substrate area of the morphological and structural surface evolution during SiC formation on Si was developed.

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“…Due to its self-ignitability, flammability and toxicity, however, the use of silane gas sources requires strict safety controls [5][6][7]. To date, 3C-SiC epitaxial films have been grown by carbonization via the thermal CVD and molecular beam epitaxy (MBE) methods [8,9]; however, in growth rates were less than 0.1 μm/h, which is insufficient for industrial applications [10].…”

Section: Introductionmentioning

confidence: 99%

Epitaxial growth of 3C-SiC (111) on Si via laser CVD carbonization

et al. 2019

Journal of Asian Ceramic Societies

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A qualitative and quantitative study was performed on the carbonization temperature (T C ) and carbonization time (t C ) with respect to the microstructure and growth rate (R g ) of a 3C-SiC epitaxial layer on Si (111) substrates by carbonization via laser chemical vapor deposition (LCVD). The results showed that the density and size of the voids depended strongly on T C . The voids were sealed, and thin films were formed continuously and uniformly after a carbonization time of 6 min at T C = 1200°C. R g was also dependent on T C , and increased from 0.43 to 1.35μm·h −1 with increases in T C from 1000 to 1200°C. These deposition rates are 10 to 100 times greater than those of observed for conventional CVD methods. ARTICLE HISTORY

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Growth of three-dimensional SiC clusters on Si modelled by KMC

Cited by 20 publications

References 20 publications

A Computational Study of the Sub-monolayer Growth of Pentacene

A Computational Study of the Sub-monolayer Growth of Pentacene

Multi-Scale Simulation of Nucleation and Growth of Nanoscale SiC on Si

Epitaxial growth of 3C-SiC (111) on Si via laser CVD carbonization

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