Comparison of silicon potentials for cluster bombardment simulations

Juha Samela, Kai Nordlund, J. Keinonen, Vladimir Popok

Research output: Contribution to journalJournal articleResearchpeer-review

17 Citations (Scopus)

Abstract

We have compared three common silicon potentials for molecular dynamics simulations of cluster bombardment of silicon structures. The potentials tested are Stillinger–Weber, Tersoff III and EDIP. We have also tested one variation of Stillinger–Weber and a variation of Tersoff III potential to see how small modifications of parameter values affect collision cascade and crater geometries. Single ion sputtering yields are compared to experimental values. In simulations, Si(11 1) surfaces are bombarded with 1–60 keV Ar12 clusters. The potentials give almost similar overall description of collision cascades at different energies. However, measurable quantities like sputtering yields and crater sizes vary considerably between potentials and even between different parametrisations of the same potential.
Original languageEnglish
JournalNuclear Instruments and Methods in Physics Reseach B
Volume255
Issue number1
Pages (from-to)253-258
Number of pages6
ISSN0168-583X
DOIs
Publication statusPublished - Feb 2007
Externally publishedYes

Fingerprint

Sputtering
bombardment
Silicon
silicon
Molecular dynamics
simulation
craters
Geometry
Computer simulation
cascades
Ions
sputtering
collisions
molecular dynamics
geometry
ions
energy

Keywords

  • Interatomic potential
  • Sputtering
  • Collision cascade
  • Molecular dynamics
  • Ion irradiation
  • Atomic cluster
  • Cratering

Cite this

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abstract = "We have compared three common silicon potentials for molecular dynamics simulations of cluster bombardment of silicon structures. The potentials tested are Stillinger–Weber, Tersoff III and EDIP. We have also tested one variation of Stillinger–Weber and a variation of Tersoff III potential to see how small modifications of parameter values affect collision cascade and crater geometries. Single ion sputtering yields are compared to experimental values. In simulations, Si(11 1) surfaces are bombarded with 1–60 keV Ar12 clusters. The potentials give almost similar overall description of collision cascades at different energies. However, measurable quantities like sputtering yields and crater sizes vary considerably between potentials and even between different parametrisations of the same potential.",
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Comparison of silicon potentials for cluster bombardment simulations. / Samela, Juha; Nordlund, Kai; Keinonen, J.; Popok, Vladimir.

In: Nuclear Instruments and Methods in Physics Reseach B, Vol. 255, No. 1, 02.2007, p. 253-258.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Comparison of silicon potentials for cluster bombardment simulations

AU - Samela, Juha

AU - Nordlund, Kai

AU - Keinonen, J.

AU - Popok, Vladimir

PY - 2007/2

Y1 - 2007/2

N2 - We have compared three common silicon potentials for molecular dynamics simulations of cluster bombardment of silicon structures. The potentials tested are Stillinger–Weber, Tersoff III and EDIP. We have also tested one variation of Stillinger–Weber and a variation of Tersoff III potential to see how small modifications of parameter values affect collision cascade and crater geometries. Single ion sputtering yields are compared to experimental values. In simulations, Si(11 1) surfaces are bombarded with 1–60 keV Ar12 clusters. The potentials give almost similar overall description of collision cascades at different energies. However, measurable quantities like sputtering yields and crater sizes vary considerably between potentials and even between different parametrisations of the same potential.

AB - We have compared three common silicon potentials for molecular dynamics simulations of cluster bombardment of silicon structures. The potentials tested are Stillinger–Weber, Tersoff III and EDIP. We have also tested one variation of Stillinger–Weber and a variation of Tersoff III potential to see how small modifications of parameter values affect collision cascade and crater geometries. Single ion sputtering yields are compared to experimental values. In simulations, Si(11 1) surfaces are bombarded with 1–60 keV Ar12 clusters. The potentials give almost similar overall description of collision cascades at different energies. However, measurable quantities like sputtering yields and crater sizes vary considerably between potentials and even between different parametrisations of the same potential.

KW - Interatomic potential

KW - Sputtering

KW - Collision cascade

KW - Molecular dynamics

KW - Ion irradiation

KW - Atomic cluster

KW - Cratering

U2 - 10.1016/j.nimb.2006.11.080

DO - 10.1016/j.nimb.2006.11.080

M3 - Journal article

VL - 255

SP - 253

EP - 258

JO - Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

JF - Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

SN - 0168-583X

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ER -