Theoretical study of the role of chemistry and substrate characteristics in C 60 kev bombardment of Si, Sic, and diamond by molecular dynamics simulations

Kristin D. Krantzman, Barbara J. Garrison

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15 Scopus citations

Abstract

This article presents a theoretical study aimed at understanding the reactive nature of carbon in secondary ion mass spectrometry experiments of Si with kev C 60 +. Molecular dynamics simulations are performed to model the bombardment of three different substrates, Si, SiC, and diamond, with normal incident C 60 at kinetic energies ranging from 5 to 20 kev. Projectile atoms form strong covalent bonds with both Si and C and, therefore, are incorporated into the target material. Although these substrates have the same diamond lattice structure, they differ greatly in their cohesive energy and number density. The yield is found to be a factor of two times greater on SiC than on Si or diamond. The mesoscale energy deposition footprint model is used to understand the reasons for the differing behaviors of the substrates as a result of C 60 bombardment.

Original languageEnglish (US)
Pages (from-to)3239-3245
Number of pages7
JournalJournal of Physical Chemistry C
Volume113
Issue number8
DOIs
StatePublished - Feb 26 2009

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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