Investigation of Carbon Buildup in Simulations of Multi-Impact Bombardment of Si with 20 keV C60 Projectiles

Kristin D. Krantzman, Clarissa A. Briner, Barbara J. Garrison

Research output: Contribution to journalArticlepeer-review

4 Scopus citations


Beams of single C+ ions are used for the incorporation of Si in the synthesis of thin films of SiC, which have a wide range of technological applications. We present a theoretical investigation of the use of C60 cluster beams to produce thin films of SiC on a Si substrate, which demonstrates that there are potential advantages to using C60+ cluster ion beams over C+ single ion beams. Molecular dynamics simulations of the multi-impact bombardment of Si with 20 keV normal incident C60 projectiles are performed to study the buildup of carbon and the formation of a region of Si-C mixing up to a fluence of 1.6 impacts/nm2 (900 impacts). The active region of the Si solid is defined as the portion of target that contains almost all of the C atoms and the height ranges from 3 nm to more than 7 nm below the average surface height. The C fraction in the active region is calculated as a function of fluence, and a simple model is developed to describe the dependence of the C fraction on fluence. An analytic function from this model is fit to the data from the molecular dynamics simulations and extrapolated to predict the fluence necessary to achieve equilibrium conditions in which the C fraction is constant with fluence. The fraction of C atoms at equilibrium is predicted to be 0.19, and the fluence necessary to achieve 90% of this asymptotic maximum value is equal to 4.0 impacts/nm2.

Original languageEnglish (US)
Pages (from-to)8081-8087
Number of pages7
JournalJournal of Physical Chemistry A
Issue number37
StatePublished - Sep 18 2014

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry


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