The transition from 2D to 3D nanoclusters of silicon carbide on silicon

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

doi:10.1134/1.1606782

Cited by 9 publications

(4 citation statements)

References 4 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. Therefore to lower the stress energy Si and C atoms travel from the near-surface layers up to the top of the clusters where the SiC lattice is less distorted due to the weaker impact of the extraneous joint.…”

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

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“…In fact, carbon and germanium atoms can diffuse into the Si substrate, and silicon atoms can also diffuse from the subsurface region. Thus, the conversion process of Si into SiC is connected with Si interstitials [102] and vacancies. [103] The Si interstitials are out-diffusing from the subsurface region where the transition from Si into SiC takes place.…”

Section: C-ge-si Layer With Sic Formationmentioning

confidence: 99%

“…[103] The Si interstitials are out-diffusing from the subsurface region where the transition from Si into SiC takes place. [102] At a later growth stage, due to a continuously growing SiC layer, Si vacancies are formed at the SiC/Si interface. [103] If the vacancy concentration is not too high, the vacancy sites can be filled by Ge atoms, leading to a stronger confinement of the carbon and germanium distributions and to a reduced vacancy coalescence probability.…”

Section: C-ge-si Layer With Sic Formationmentioning

confidence: 99%

Chemoheteroepitaxy of 3C‐SiC(111) on Si(111): Influence of Predeposited Ge on Structure and Composition

Zgheib

Lubov

Kulikov

et al. 2021

Physica Status Solidi (a)

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Secondary ion mass spectroscopy, Fourier transformed infrared spectroscopy, ellipsometry, reflection high energy diffraction and transmission electron microscopy are used to gain inside into the effect of Ge on the formation of ultrathin 3C‐SiC layers on Si(111) substrates. Accompanying the experimental investigations with simulations it is found that the ultrathin single crystalline 3C‐SiC layer is formed on top of a gradient Si1–x–yGexCy buffer layer due to a complex alloying and alloy decomposition processes promoted by carbon and germanium interdiffusion and SiC nucleation. This approach allows tuning residual stress at very early growth stages as well as the interface properties of the 3C‐SiC/Si heterostructure. Useful yields of secondary ions of Ge in Si matrix and Si dimer are estimated.

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“…In order to adopt it for the three-dimensional case an additional mechanism supporting the 3D growth must be introduced. The most probable reason of the 3D clusters growth is the influence of the elastic stress originating from the lattice misfit between the Si and SiC materials [6]. The substrate and clusters lattices are distorted near the heterogeneous Si/SiC interface.…”

Section: Modelmentioning

confidence: 99%