Formation of multiple dislocations in Si solid-phase epitaxy regrowth process using stress memorization technique

Shen, Ting; Wang, S.J.; Tung, Yen-Tien; Hwang, R.L.; Wu, Chao-Hsin; Wu, Jun; Diaz, C.H.

doi:10.1016/j.commatsci.2015.04.009

Cited by 2 publications

(2 citation statements)

References 12 publications

(17 reference statements)

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“…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%

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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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