Molecular dynamics study of the interactions of incident N or Ti atoms with the TiN(001) surface

Molecular dynamics study of the interactions of incident N or Ti atoms with the TiN(001) surface Article history: The interaction processes between incident N or Ti atoms and the TiN(001) surface are simulated by Received 12 October 2015 classical molecular dynamics based on the second nearest-neighbor modified embedded-atom method Received in revised form 4 November 2015 potentials. The simulations are carried out for substrate temperatures between 300 and 700 K and kinetic Accepted 7 November 2015 energies of the incident atoms within the range of 0.5–10 eV. When N atoms impact against the surface, Available online 18 November 2015 adsorption, resputtering and reflection of particles are observed; several unique atomic mechanisms are identified to account for these interactions, in which the adsorption could occur due to the atomic Keywords: exchange process while the resputtering and reflection may simultaneously occur. The impact position TiN of incident N atoms on the surface plays an important role in determining the interaction modes. Their Atomic deposition occurrence probabilities are dependent on the kinetic energy of incident N atoms but independent on Adsorption the substrate temperature. When Ti atoms are the incident particles, adsorption is the predominant Resputtering Reflection interaction mode between particles and the surface. This results in the much smaller initial sticking Molecular dynamics coefficient of N atoms http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Applied Surface Science Elsevier

Molecular dynamics study of the interactions of incident N or Ti atoms with the TiN(001) surface

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Publisher
Elsevier
Copyright
Copyright © 2015 Elsevier B.V.
ISSN
0169-4332
eISSN
1873-5584
D.O.I.
10.1016/j.apsusc.2015.11.090
Publisher site
See Article on Publisher Site

Abstract

Article history: The interaction processes between incident N or Ti atoms and the TiN(001) surface are simulated by Received 12 October 2015 classical molecular dynamics based on the second nearest-neighbor modified embedded-atom method Received in revised form 4 November 2015 potentials. The simulations are carried out for substrate temperatures between 300 and 700 K and kinetic Accepted 7 November 2015 energies of the incident atoms within the range of 0.5–10 eV. When N atoms impact against the surface, Available online 18 November 2015 adsorption, resputtering and reflection of particles are observed; several unique atomic mechanisms are identified to account for these interactions, in which the adsorption could occur due to the atomic Keywords: exchange process while the resputtering and reflection may simultaneously occur. The impact position TiN of incident N atoms on the surface plays an important role in determining the interaction modes. Their Atomic deposition occurrence probabilities are dependent on the kinetic energy of incident N atoms but independent on Adsorption the substrate temperature. When Ti atoms are the incident particles, adsorption is the predominant Resputtering Reflection interaction mode between particles and the surface. This results in the much smaller initial sticking Molecular dynamics coefficient of N atoms

Journal

Applied Surface ScienceElsevier

Published: Jan 1, 2016

References

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