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
Applied Surface Science – Elsevier
Published: Jan 1, 2016
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