Determination of recombination radius in Si for binary collision approximation codes
Abstract
Displacement damage caused by ions or neutrons in microelectronic devices can have significant effect on the performance of these devices. Therefore, it is important to predict not only the displacement damage profile, but also its magnitude precisely. Analytical methods and binary collision approximation codes working with amorphous targets use the concept of displacement energy, the energy that a lattice atom has to receive to create a permanent replacement. It was found that this “displacement energy” is direction dependent; it can range from 12 to 32 eV in silicon. Obviously, this model fails in BCA codes that work with crystalline targets, such as Marlowe. Marlowe does not use displacement energy; instead, it uses lattice binding energy only and then pairs the interstitial atoms with vacancies. Then based on the configuration of the Frenkel pairs it classifies them as close, near, or distant pairs, and considers the distant pairs the permanent replacements. Unfortunately, this separation is an ad hoc assumption, and the results do not agree with molecular dynamics calculations. After irradiation, there is a prompt recombination of interstitials and vacancies if they are nearby, within a recombination radius. In order to implement this recombination radius in Marlowe, we used the comparisonmore »
- Authors:
-
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1237661
- Report Number(s):
- SAND-2015-5277J
Journal ID: ISSN 0168-583X; PII: S0168583X15008241
- Grant/Contract Number:
- AC04-94AL85000
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
- Additional Journal Information:
- Journal Volume: 5; Journal Issue: 1; Journal ID: ISSN 0168-583X
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY; binary collision approximation; molecular dynamics; recombination radius; displacement threshold energy
Citation Formats
Vizkelethy, Gyorgy, and Foiles, Stephen M. Determination of recombination radius in Si for binary collision approximation codes. United States: N. p., 2015.
Web. doi:10.1016/j.nimb.2015.08.088.
Vizkelethy, Gyorgy, & Foiles, Stephen M. Determination of recombination radius in Si for binary collision approximation codes. United States. https://doi.org/10.1016/j.nimb.2015.08.088
Vizkelethy, Gyorgy, and Foiles, Stephen M. Fri .
"Determination of recombination radius in Si for binary collision approximation codes". United States. https://doi.org/10.1016/j.nimb.2015.08.088. https://www.osti.gov/servlets/purl/1237661.
@article{osti_1237661,
title = {Determination of recombination radius in Si for binary collision approximation codes},
author = {Vizkelethy, Gyorgy and Foiles, Stephen M.},
abstractNote = {Displacement damage caused by ions or neutrons in microelectronic devices can have significant effect on the performance of these devices. Therefore, it is important to predict not only the displacement damage profile, but also its magnitude precisely. Analytical methods and binary collision approximation codes working with amorphous targets use the concept of displacement energy, the energy that a lattice atom has to receive to create a permanent replacement. It was found that this “displacement energy” is direction dependent; it can range from 12 to 32 eV in silicon. Obviously, this model fails in BCA codes that work with crystalline targets, such as Marlowe. Marlowe does not use displacement energy; instead, it uses lattice binding energy only and then pairs the interstitial atoms with vacancies. Then based on the configuration of the Frenkel pairs it classifies them as close, near, or distant pairs, and considers the distant pairs the permanent replacements. Unfortunately, this separation is an ad hoc assumption, and the results do not agree with molecular dynamics calculations. After irradiation, there is a prompt recombination of interstitials and vacancies if they are nearby, within a recombination radius. In order to implement this recombination radius in Marlowe, we used the comparison of MD and Marlowe calculation in a range of ion energies in single crystal silicon target. As a result, the calculations showed that a single recombination radius of ~7.4 Å in Marlowe for a range of ion energies gives an excellent agreement with MD.},
doi = {10.1016/j.nimb.2015.08.088},
journal = {Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms},
number = 1,
volume = 5,
place = {United States},
year = {Fri Sep 11 00:00:00 EDT 2015},
month = {Fri Sep 11 00:00:00 EDT 2015}
}
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Works referenced in this record:
Model of defect reactions and the influence of clustering in pulse-neutron-irradiated Si
journal, August 2008
- Myers, S. M.; Cooper, P. J.; Wampler, W. R.
- Journal of Applied Physics, Vol. 104, Issue 4
The Displacement of Atoms in Solids by Radiation
journal, January 1955
- Kinchin, G. H.; Pease, R. S.
- Reports on Progress in Physics, Vol. 18, Issue 1
Molecular dynamics simulations of bulk displacement threshold energies in Si
journal, June 1994
- Miller, Leann A.; Brice, David K.; Prinja, Anil K.
- Radiation Effects and Defects in Solids, Vol. 129, Issue 1-2
Computer simulation of atomic-displacement cascades in solids in the binary-collision approximation
journal, June 1974
- Robinson, Mark; Torrens, Ian
- Physical Review B, Vol. 9, Issue 12
Linear collision sequences in fcc and L12 metals: A computer simulation study
journal, January 2002
- Hou, M.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 187, Issue 1
Binding energy effects in cascade evolution and sputtering
journal, July 1996
- Robinson, Mark T.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 115, Issue 1-4
Computer studies of the reflection of light ions from solids
journal, January 1976
- S. Oen, Ordean; T. Robinson, Mark
- Nuclear Instruments and Methods, Vol. 132
Energy Dissipation by Ions in the kev Region
journal, October 1961
- Lindhard, J.; Scharff, M.
- Physical Review, Vol. 124, Issue 1
Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995
- Plimpton, Steve
- Journal of Computational Physics, Vol. 117, Issue 1
Empirical interatomic potential for silicon with improved elastic properties
journal, November 1988
- Tersoff, J.
- Physical Review B, Vol. 38, Issue 14
The temporal development of collision cascades in the binary-collision approximation
journal, March 1990
- Robinson, Mark T.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 48, Issue 1-4
Works referencing / citing this record:
Study of Defects Produced by Displacement Cascades in Tantalum Monocarbide
journal, March 2018
- Djaafri, Abdelkader; Kadoun, Abd-Ed-Daïm; Driss-Khodja, Mohammed
- Arabian Journal for Science and Engineering, Vol. 43, Issue 7