MD simulations of the cluster beam deposition of porous Ge

Harjunmaa, A.; Tarus, J.; Nordlund, K.; Keinonen, J.

doi:10.1140/epjd/e2007-00073-1

Cited by 7 publications

(6 citation statements)

References 22 publications

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“…Molecular dynamics simulations modeling Ge cluster beam deposition showed that the porosity strongly depended on the deposition energy. 15 Estimated porosities P min decreased from ϳ0.7 to ϳ0.05 for deposition energies varying from 10 meV to 1 eV per atom. Note, however, that the smaller binding energy of Ge has to be taken into account if these results are to be translated to Si.…”

Section: Discussionmentioning

confidence: 92%

Layer growth and connectivity calculations based on a stick-ball model: Application to silicon nanocrystals

Voigt

Bauer

Huisken

2009

Journal of Applied Physics

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Monte Carlo computer simulations based on a stick-ball model were performed in order to simulate the growth of layers built from nanoparticles impinging on a substrate. From the simulations, a bulk layer porosity P∞=0.85±0.01 was extracted. Furthermore, characteristics about the percolative charge transport during layer growth were deduced. The establishment of the first contact between coplanar contacts via paths through nanoparticles was investigated for a variety of geometrical parameters. The onset of conductance in the simulations after the establishment of the first contact can be well described by a shifted power law. The simulations were compared with experimental results on layers built from Si nanocrystals and good qualitative and to some extent quantitative agreement was found. A tolerance parameter was introduced into the simulations referring to the maximum distance at which tunneling between adjacent nanoparticles may occur. By choosing different tolerance values and extrapolating the data to comply with the experimental results, a tolerance parameter of 0.73 nm was estimated.

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Section: Discussionmentioning

confidence: 92%

Layer growth and connectivity calculations based on a stick-ball model: Application to silicon nanocrystals

Voigt

Bauer

Huisken

2009

Journal of Applied Physics

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“…Most of MD simulations are typically carried out by applying the well‐known semi‐classical potentials of Stillinger‐Weber or of Tersoff type. Examples of MD simulations include studies of the intermixing , the growth and ordering of Ge islands on Si and SiO 2 surfaces , the preferred adsorption sites , modeling layer growth , cluster deposition , surface diffusion , and reactive effects .…”

Section: Introductionmentioning

confidence: 99%

Tracking atomic processes throughout the formation of heteroepitaxial interfaces

Scheerschmidt

Moutanabbir

2015

Crystal Research and Technology

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Understanding the atomic processes governing the formation a heteroepitaxial interface is central to predict and control the basic physical and chemical properties of a variety of hetero-structures. With this perspective, we address in this work the dynamic behavior of Ge atoms deposited on Si-surfaces by molecular dynamics simulations using enhanced bond order potentials. We demonstrate that the deposition of Ge atoms on Si surface induces the competition between several processes including adsorption, desorption, and bulk and surface diffusion involving atomic exchange, substitution, and clustering. By tracking these process, the simulations provide unprecedented insights onto the assembly of the first atomic layer of Ge on Si, the nucleation, growth, and relaxation of islands and quantum dots as well as of defect generation in the bulk.

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“…In addition to comprehensive experimental results, a great number of numerical simulations of LECBD have also been performed (e.g., [7,8]). These simulations have shown that the porosities of the deposited layers depend strongly on the deposition energy ranging from thermal energies to about 1 eV per atom: with the lower energies, the clusters land softly on the substrate, leaving considerable room between themselves, resulting in a high porosity; and with the higher energies, the clusters are flattened upon landing, decreasing the amount of empty space and resulting in little to no porosity.…”

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confidence: 99%

“…The purpose of this study is to investigate the formation of porous semiconductor multilayers through cluster deposition as simulated using classical molecular dynamics (MD) [13]. As a first step, the deposition of Ge clusters onto a Si substrate has already been simulated at different energies to find a relationship between deposition energy and layer porosity [8]. This work continues with the simulation of further deposition of Si and Ge clusters on these porous layers.…”

mentioning

confidence: 99%

“…Two different deposition targets were used in these simulations: a porous layer containing 50 Ge clusters deposited on a Si substrate at 10 meV/atom, and one deposited at 100 meV/atom. More details on these targets can be found in reference [8] (referred to in that article as the "main simulations"). For the Si clusters, another set of simulations was run at a deposition angle of 45 degrees.…”

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confidence: 99%

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Growing multiple layers of porous semiconductors —A molecular-dynamics study

Harjunmaa

Nordlund

2010

EPL

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The deposition of Si/Ge multilayers was simulated using classical molecular-dynamics simulations. The layers consisted of 40 Ge or Si clusters of 1018 atoms deposited at 1 eV/atom on a porous Ge layer previously deposited onto a Si bulk lattice. These multilayers were numerically analyzed, and simulated transmission electron microscope images of the layers were formed. The results showed that the porous Ge layers were capable of supporting the deposition without collapsing, thus forming multiple superimposed layers with different characteristics. The image simulations suggest that identification of elements within the new layers is possible through contrast analysis.

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MD simulations of the cluster beam deposition of porous Ge

Cited by 7 publications

References 22 publications

Layer growth and connectivity calculations based on a stick-ball model: Application to silicon nanocrystals

Layer growth and connectivity calculations based on a stick-ball model: Application to silicon nanocrystals

Tracking atomic processes throughout the formation of heteroepitaxial interfaces

Growing multiple layers of porous semiconductors —A molecular-dynamics study

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