Direct molecular dynamics simulation of Ge deposition on amorphous SiO2 at experimentally relevant conditions

Chuang, Claire Y.; Zepeda-Ruiz, Luis A.; Han, Sang M.; Sinno, Talid

doi:10.1016/j.susc.2015.04.029

Title: Direct molecular dynamics simulation of Ge deposition on amorphous SiO₂ at experimentally relevant conditions

Journal Article · Mon Jun 01 00:00:00 EDT 2015 · Surface Science

DOI:https://doi.org/10.1016/j.susc.2015.04.029· OSTI ID:1342000

Chuang, Claire Y. ^[1]; Zepeda-Ruiz, Luis A. ^[2]; Han, Sang M. ^[3]; Sinno, Talid ^[1]

Univ. of Pennsylvania, Philadelphia, PA (United States)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Univ. of New Mexico, Albuquerque, NM (United States)

Molecular dynamics simulations were used to study Ge island nucleation and growth on amorphous SiO₂ substrates. This process is relevant in selective epitaxial growth of Ge on Si, for which SiO₂ is often used as a template mask. The islanding process was studied over a wide range of temperatures and fluxes, using a recently proposed empirical potential model for the Si–SiO₂–Ge system. The simulations provide an excellent quantitative picture of the Ge islanding and compare well with detailed experimental measurements. These quantitative comparisons were enabled by an analytical rate model as a bridge between simulations and experiments despite the fact that deposition fluxes accessible in simulations and experiments are necessarily different by many orders of magnitude. In particular, the simulations led to accurate predictions of the critical island size and the scaling of island density as a function of temperature. Lastly, the overall approach used here should be useful not just for future studies in this particular system, but also for molecular simulations of deposition in other materials.

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Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1342000

Alternate ID(s):: OSTI ID: 1244741

Report Number(s):: LLNL-JRNL-694161

Journal Information:: Surface Science, Vol. 641, Issue C; ISSN 0039-6028

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 1 work

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molecular dynamics
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Title: Direct molecular dynamics simulation of Ge deposition on amorphous SiO2 at experimentally relevant conditions

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References (59)

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Title: Direct molecular dynamics simulation of Ge deposition on amorphous SiO₂ at experimentally relevant conditions