Molecular dynamics simulations of swift heavy ion induced defect recovery in SiC

M. Backman, M. Toulemonde, O. H. Pakarinen, N. Juslin, F. Djurabekova, K. Nordlund, A. Debelle, W. J. Weber

Research output: Contribution to journalArticlepeer-review

82 Scopus citations

Abstract

Swift heavy ions induce a high density of electronic excitations that can cause the formation of amorphous ion tracks in insulators. No ion tracks have been observed in the semiconductor SiC, but recent experimental work suggests that irradiation damaged SiC can undergo defect recovery under swift heavy ion irradiation. It is believed that local heating of the lattice due to the electronic energy deposition can anneal, and thereby recover, some of the disordered structure. We simulate the local heating due to the ions by the inelastic thermal spike model and perform molecular dynamics simulations of different model damage states to study the defect recovery on an atomistic level. We find significant recovery of point defects and a disordered layer, as well as recrystallization at the amorphous-to-crystalline interface of an amorphous layer. The simulation results support the swift heavy ion annealing hypothesis.

Original languageEnglish
Pages (from-to)261-265
Number of pages5
JournalComputational Materials Science
Volume67
DOIs
StatePublished - Feb 2013
Externally publishedYes

Funding

W.J. Weber was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division. The theoretical calculations were performed using the supercomputer resources at the National Energy Research Scientific Computing Center located at Lawrence Berkeley National Laboratory, USA.

FundersFunder number
U.S. Department of Energy
Basic Energy Sciences
Division of Materials Sciences and Engineering

    Keywords

    • Inelastic thermal spike
    • Molecular dynamics
    • Radiation damage
    • Silicon carbide
    • Swift heavy ion

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