Binary collision approximation simulations of ion solid interaction without the concept of surface binding energies

Hofsäß, H.; Stegmaier, Alrik

doi:10.1016/j.nimb.2022.02.012

Cited by 18 publications

(20 citation statements)

References 47 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…To obtain a more profound understanding of the processes during implantation, simulations were performed using IMINTDYN [ 30 ], a binary collision approximation (BCA) Monte Carlo program for simulation of ion solid interactions based on SDTrimSP [ 31 ]. As most BCA simulation codes IMINTDYN also assumes an amorphous target structure.…”

Section: Results and Discussionmentioning

confidence: 99%

Lateral Controlled Doping and Defect Engineering of Graphene by Ultra-Low-Energy Ion Implantation

et al. 2023

View full text Add to dashboard Cite

In this paper, the effectiveness of ultra-low-energy ion implantation as a means of defect engineering in graphene was explored through the measurement of Scanning Kelvin Probe Microscopy (SKPM) and Raman spectroscopy, with boron (B) and helium (He) ions being implanted into monolayer graphene samples. We used electrostatic masks to create a doped and non-doped region in one single implantation step. For verification we measured the surface potential profile along the sample and proved the feasibility of lateral controllable doping. In another experiment, a voltage gradient was applied across the graphene layer in order to implant helium at different energies and thus perform an ion-energy-dependent investigation of the implantation damage of the graphene. For this purpose Raman measurements were performed, which show the different damage due to the various ion energies. Finally, ion implantation simulations were conducted to evaluate damage formation.

show abstract

Section: Results and Discussionmentioning

confidence: 99%

Lateral Controlled Doping and Defect Engineering of Graphene by Ultra-Low-Energy Ion Implantation

et al. 2023

View full text Add to dashboard Cite

show abstract

“…How the SBE of a damaged surface or, as outlined by Hofsäss & Stegmaier (2022), a nonnormal orientation of a mineral unit cell would differ from the ideal conditions chosen in MD simulations is unclear. Furthermore, the energy distributions of secondary ions do not necessarily represent their neutral counterparts, as neutralization of ejected particles is energy dependent, which can cause a significant offset of the ion distribution toward lower energies (Benninghoven et al 1987; Van der Heide 2014).…”

Section: Sb: Surface Binding Modelmentioning

confidence: 99%

“…This is based on the assumption that, e.g., O from breaking up SiO 2 will already be in its gaseous state and thus will not be required to be sublimated, unlike Si. As an example, E bulk (or BBEs) for the elements in the binary compound SiO 2 are, as implemented in SDTrimSP, A side effect of setting the SBE to zero and only using a BBE is a lack of a planar attraction potential, and therefore no refraction of sputtered particles toward larger emission angles occurs (Jackson 1975;Roth et al 1983;Gades & Urbassek 1992;Hofsäss & Stegmaier 2022). When a surface potential has to be overcome, the extent of the refraction acting on a particle leaving the surface of a sample is proportional to the ratio of the energy of the particle in relation to the potential that has to be overcome (Thompson 1968;Sigmund 1969):…”

Section: Bb: Bulk Binding Modelmentioning

confidence: 99%

“…The suggested approach by Hofsäss & Stegmaier (2022) to obtain the best results to reproduce experimental data is to set a cutoff energy (E cutoff ) in the BB model that lies between 1/2 and 1/8.5 of the atomic E s (the authors thereby favor a factor of 1/3, which is also the default set for BB models in SDTrimSP). The effect of the absence of an SBE and the use of a BBE and E cutoff on the energy distribution of the sputtered particles is evident, as the lower energetic tail of sputtered atoms is cut off at the given E cutoff , and no Thompson distribution (Thompson 1968) is seen (Figure 1).…”

Section: Bb: Bulk Binding Modelmentioning

confidence: 99%

See 1 more Smart Citation

New Compound and Hybrid Binding Energy Sputter Model for Modeling Purposes in Agreement with Experimental Data

et al. 2023

View full text Add to dashboard Cite

Rocky planets and moons experiencing solar wind sputtering are continuously supplying their enveloping exosphere with ejected neutral atoms. To understand the quantity and properties of the ejecta, well-established binary collision approximation Monte Carlo codes like TRIM with default settings are used predominantly. Improved models such as SDTrimSP have come forward, and together with new experimental data, the underlying assumptions have been challenged. We introduce a hybrid model, combining the previous surface binding approach with a new bulk binding model akin to Hofsäss & Stegmaier. In addition, we expand the model implementation by distinguishing between free and bound components sourced from mineral compounds such as oxides or sulfides. The use of oxides and sulfides also enables the correct setting of the mass densities of minerals, which was previously limited to the manual setting of individual atomic densities of elements. All of the energies and densities used are thereby based on tabulated data, so that only minimal user input and no fitting of parameters are required. We found unprecedented agreement between the newly implemented hybrid model and previously published sputter yields for incidence angles up to 45° from surface normal. Good agreement is found for the angular distribution of mass sputtered from enstatite MgSiO3 compared to the latest experimental data. Energy distributions recreate trends of experimental data of oxidized metals. Similar trends are to be expected from future mineral experimental data. The model thus serves its purpose of widespread applicability and ease of use for modelers of rocky body exospheres.

show abstract

“…Hence, sputtering yields have been thoroughly studied in the past, yet, at the low impact energies of 500 eV and below they are less well known. Only few studies investigated ultra-low energy argon impacts [38][39][40][41][42][43][44], let alone the variation of the sputtering yields with respect to angle variations. Previous studies differ from our in several aspects: Zalm et.…”

Section: Sputtering Yieldsmentioning

confidence: 99%

Ultra-low energy amorphization of contaminated silicon samples investigated by Molecular Dynamics

Defoort-Levkov¹,

Bahm²,

Philipp³

2023

Preprint

View full text Add to dashboard Cite

Ion beam processes related to focused ion beam (FIB) milling, surface patterning and secondary ion mass spectrometry (SIMS) require precision and control, the quality and cleanliness of the sample being a detrimental factor. Furthermore, several domains of nanotechnology and industry use nano-scaled samples that need to be controlled to an extreme level of precision. To reduce the irradiation-induced damage and to limit the interactions of the ions with the sample, low energy ion beams are used due to their low implantation depths. Yet, low energy ion beams come with a variety of challenges. Indeed, for such low energies, the residual gas molecules in the instrument chamber can adsorb on the sample surface and impact the ion beam processes. In this paper we pursue an investigation on the effects of the most common contaminant, water, sputtered by ultra-low energy ion beams, ranging from 50 to 500 eV and covering the full range of incidence angles, using Molecular Dynamics (MD) simulations with the ReaxFF potential. From this study we show that the expected sputtering yields trends are respected down to the lowest sputtering yields, a region of interest with low damage being obtained for incidence angles around 60 to 75°. We also demonstrate that higher energies induce a larger removal of the water contaminant and at the same time induce an increased amorphization, which produces a trade-off between sample cleanliness and damage.

show abstract

Binary collision approximation simulations of ion solid interaction without the concept of surface binding energies

Cited by 18 publications

References 47 publications

Lateral Controlled Doping and Defect Engineering of Graphene by Ultra-Low-Energy Ion Implantation

Lateral Controlled Doping and Defect Engineering of Graphene by Ultra-Low-Energy Ion Implantation

New Compound and Hybrid Binding Energy Sputter Model for Modeling Purposes in Agreement with Experimental Data

Ultra-low energy amorphization of contaminated silicon samples investigated by Molecular Dynamics

Contact Info

Product

Resources

About