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

28 Citations (Scopus)

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

Fingerprint

Silicon
implantation
Oxygen
damage
Adsorption
Defects
adsorption
silicon
oxygen
defects
Molecular oxygen
Chemisorption
Thermal energy
Microelectronics
Silicon Dioxide
Probability distributions
Molecular dynamics
Silica
thermal energy
microelectronics

All Science Journal Classification (ASJC) codes

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

Cite this

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Hyperthermal oxygen interacting with silicon surfaces : Adsorption, implantation, and damage creation. / Neyts, E. C.; Khalilov, U.; Pourtois, G.; Van Duin, A. C.T.

In: Journal of Physical Chemistry C, Vol. 115, No. 11, 24.03.2011, p. 4818-4823.

Research output: Contribution to journalArticle

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T1 - Hyperthermal oxygen interacting with silicon surfaces

T2 - Adsorption, implantation, and damage creation

AU - Neyts, E. C.

AU - Khalilov, U.

AU - Pourtois, G.

AU - Van Duin, A. C.T.

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