Atomistic examinations of the solid-phase epitaxial growth of silicon

Gillespie, B.; Wadley, H.N.G.

doi:10.1016/j.jcrysgro.2009.02.050

Cited by 14 publications

(6 citation statements)

References 29 publications

(85 reference statements)

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“…The fluctuation of the growth rate was also observed by Gillespie and Wadley. 5) The fluctuation of N = 6144 is smaller than that of N = 11200. This is because the system size is too small to include large defects at the a=c interface.…”

Section: Size Effects On Spe Processesmentioning

confidence: 94%

“…The simulation time for annealing at 1400 K is 1000 ns, which is much larger than that performed by others. [2][3][4][5][6]8,9) It is apparent that the volume of the crystal region increases with annealing temperature and time. Although the a=c interface was flat initially, it became rough with the progress of SPE.…”

Section: Growth Processes and Activation Energy Of Spe Recrystallizationmentioning

confidence: 99%

“…Indeed, the simulations of SPE growth for amorphous Si have been performed so far by several researchers, as summarized in Table I. [1][2][3][4][5][6][7][8][9] Bernstein et al 1) examined the SPE processes of ∼2000 Si atoms using the environment-dependent interatomic potential. From the Arrhenius plot of the growth rates, they found that the activation energy of the SPE growth changes at 950 K: 0.4 ± 0.2 eV below 950 K and 2.0 ± 0.5 eV above 950 K. On the contrary, Motooka et al 2) reported an opposite behavior, based on the MD simulations using 4096 Si atoms interacting via the Tersoff potential: 2.7 eV at the lower temperature region (1450-1600 K) and 1.2 eV at the higher temperature region (1600-2000 K).…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Molecular-dynamics simulations of solid phase epitaxy in silicon: Effects of system size, simulation time, and ensemble

Kohno¹,

Ishimaru²

2018

Jpn. J. Appl. Phys.

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Solid phase epitaxial (SPE) recrystallization of amorphous Si on a Si(001) substrate was examined by large-scale (6144–129024 Si atoms), long-time (up to 2000 ns) molecular-dynamics (MD) simulations using the empirical Tersoff interatomic potential. We particularly focused on the effects of the MD cell size, simulation time, and ensemble on the SPE growth rate. We found that the simulations under the isothermal–isochoric conditions (NVT ensemble) show a higher crystallization rate than those under the isothermal–isobaric conditions (NPT ensemble). The system size dealt with in the present MD simulation, i.e., >6144 Si atoms, was enough to estimate the SPE growth rate. The Arrhenius plot of the growth rate between 1300 and 1600 K exhibited a single activation energy, ∼2.4 eV, which is in agreement with the experimental value (∼2.7 eV). However, the growth rate at temperatures below 1300 K deviated from the extrapolated ones from 1300 to 1600 K, which is because recrystallization does not reach a steady state: long-time MD simulations are required to estimate the growth rate at low temperature. The structure analysis of amorphous/crystalline interfaces suggested that the braking of atomic bonds parallel to the interface becomes a rate-limiting step of the SPE growth.

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Section: Size Effects On Spe Processesmentioning

confidence: 94%

Section: Growth Processes and Activation Energy Of Spe Recrystallizationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Molecular-dynamics simulations of solid phase epitaxy in silicon: Effects of system size, simulation time, and ensemble

Kohno¹,

Ishimaru²

2018

Jpn. J. Appl. Phys.

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“…Molecular dynamics (MD) simulation is a powerful approach for investigating the crystal growth mechanism, because it gives us atomic-scale information. Many studies on crystal growth simulation for semiconductors using the MD method have been reported [12][13][14][15][16].…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics simulation of diffusion behavior of N atoms on the growth surface in GaN solution growth

Kawamura

Kangawa

Kakimoto

et al. 2012

Journal of Crystal Growth

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“…Krzeminski et al 25) examined crystallization of amorphous by MD simulations using the Tersoff potential, the Stillinger-Weber potential, the Lenosky-modified embedded atom potential, and the environment-dependent interatomic potential. Gillespie and Wadley 26) performed a similar study using the bond order potential. As a result, it was found that the Tersoff potential is most closely matched with the experimental activation energy of crystallization rate (the activation energy is summarized in Ref.…”

mentioning

confidence: 99%

Impact of supercooled liquid structures on the crystallization processes of amorphous Ge

Nagaoka¹,

Tahara²,

Ishimaru³

2022

Appl. Phys. Express

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The crystallization processes of amorphous Ge as well as the atomistic structures of the growth front were examined by molecular-dynamics simulations. An amorphous Ge network was annealed in a thermal bath with a temperature gradient. Crystallization proceeded via the supercooled liquid, and changed from random nanocrystallization to large oriented grain growth. The resultant structures qualitatively reproduced the explosive crystallization observed with pulsed-laser irradiation and flash lamp annealing. The supercooled liquid was found to transform from a tetrahedral liquid to a more highly-coordinated liquid with increasing temperature, which was attributed to the change in growth mode.

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Atomistic examinations of the solid-phase epitaxial growth of silicon

Cited by 14 publications

References 29 publications

Molecular-dynamics simulations of solid phase epitaxy in silicon: Effects of system size, simulation time, and ensemble

Molecular-dynamics simulations of solid phase epitaxy in silicon: Effects of system size, simulation time, and ensemble

Molecular dynamics simulation of diffusion behavior of N atoms on the growth surface in GaN solution growth

Impact of supercooled liquid structures on the crystallization processes of amorphous Ge

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