Computer Simulation of the Early Stages of Nano Scale SiC Growth on Si

Safonov, K. L.; Trushin, Yu. V.; Ambacher, O.; Pezoldt, Jörg

doi:10.4028/www.scientific.net/msf.483-485.169

Cited by 2 publications

(3 citation statements)

References 8 publications

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“…137 The most probable reason of a volumetric clusters growth is the influence of the elastic stress originating from the lattice misfit between Si and SiC materials. 104 The substrate and clusters lattices are distorted near the heterogeneous Si/SiC interface.…”

Section: Three Dimensional Growthmentioning

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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Section: Three Dimensional Growthmentioning

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

View full text Add to dashboard Cite

show abstract

“…Good agreement both with experimental data and theoretical predictions was obtained [10] The influence of strain on cluster growth was included in the model as well: elastic stress energy near the cluster is determined by its shape and size and correspondingly lowers the energy barrier for C and Si particles to jump up to the top layers. In accordance with available experimental AFM data [11] SiC clusters were assumed to have conical shape, and so they were treated by base radius and height distribution functions. Further details of physical RE model were reported elsewhere [10][11][12].…”

Section: Rate Equationsmentioning

confidence: 99%

“…In accordance with available experimental AFM data [11] SiC clusters were assumed to have conical shape, and so they were treated by base radius and height distribution functions. Further details of physical RE model were reported elsewhere [10][11][12]. According to the suggested model the time evolution of the particles concentrations and clusters size distribution function was simulated.…”

Section: Rate Equationsmentioning

confidence: 99%

Multi-Scale Simulation of MBE-Grown SiC/Si Nanostructures

Schmidt

Trushin

Safonov

et al. 2006

MSF

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The main obstacle for the implementation of numerical simulation for the prediction of the epitaxial growth is the variety of physical processes with considerable differences in time and spatial scales taking place during epitaxy: deposition of atoms, surface and bulk diffusion, nucleation of two-dimensional and three-dimensional clusters, etc. Thus, it is not possible to describe all of them in the framework of a single physical model. In this work there was developed a multi-scale simulation method for molecular beam epitaxy (MBE) of silicon carbide nanostructures on silicon. Three numerical methods were used in a complex: Molecular Dynamics (MD), kinetic Monte Carlo (KMC), and the Rate Equations (RE). MD was used for the estimation of kinetic parameters of atoms at the surface, which are input parameters for other simulation methods. The KMC allowed the atomic-scale simulation of the cluster formation, which is the initial stage of the SiC growth, while the RE method gave the ability to study the growth process on a longer time scale. As a result, a full-scale description of the surface evolution during SiC formation on Si substrates was developed.

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Computer Simulation of the Early Stages of Nano Scale SiC Growth on Si

Cited by 2 publications

References 8 publications

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

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

Multi-Scale Simulation of MBE-Grown SiC/Si Nanostructures

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