Hyperthermal oxygen interacting with silicon surfaces: Adsorption, implantation, and damage creation

E. C. Neyts, U. Khalilov, G. Pourtois, A. C.T. Van Duin

Research output: Contribution to journalArticle

27 Scopus citations

Abstract

Using reactive molecular dynamics simulations, we have investigated the effect of single-impact, low-energy (thermal-100 eV) bombardment of a Si(100){2 × 1} surface by atomic and molecular oxygen. Penetration probability distributions, as well as defect formation distributions, are presented as a function of the impact energy for both species. It is found that at low impact energy, defects are created chemically due to the chemisorption process in the top layers of the surface, while at high impact energy, additional defects are created by a knock-on displacement of Si. These results are of particular importance for understanding device performances of silica-based microelectronic and photovoltaic devices.

Original languageEnglish (US)
Pages (from-to)4818-4823
Number of pages6
JournalJournal of Physical Chemistry C
Volume115
Issue number11
DOIs
StatePublished - Mar 24 2011

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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