Modeling of silicon irradiation with C60 ions and the role of the interaction potential

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Abstract

Molecular dynamic simulation was used to study the processes of impact of 2–14 keV C60 molecular ions on the Si(100) surface at temperatures of 0–1000 K. Tersoff–ZBL and Airebo interaction potentials were used and the electronic energy loss of fast particles was taken into account. It is shown that when simulating single impact events, the target temperature does not affect the development of the displacement cascade, but affects its thermalization and the formation of the crater on the surface. As the energy increases, the carbon penetration depth, the size of the formed crater and the rim increase. The sputtering coefficient of silicon atoms in this case increases linearly with energy, and in the case of carbon atoms it reaches a steady-state value at 10 keV. Using the Tersoff potential gives a larger number of atomized carbon atoms for single impact events compared to Airebo potential. During cumulative events, the formation of an etch pit is observed at the initial stage, followed by the carbon film growth. In contrast to single events, the use of the Airebo potential in the case of cumulative ion accumulation gives a higher sputtering coefficient than the Tersoff potential. The formation of carbide bonds in the crystal and an increase in their concentration with ion fluence slightly reduces the number of sputtered particles. Therefore, for correct comparison of simulation results with experiment, it is not enough to use the results of the analysis of single impact event. It is necessary to perform the simulation of the cumulative fluence accumulation.

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About the authors

K. P. Karasev

Alferov University; Peter the Great Saint-Petersburg Polytechnic university

Author for correspondence.
Email: kir.karasyov2017@yandex.ru
Russian Federation, 195251, Saint-Petersburg; 195251, Saint-Petersburg

D. A. Strizhkin

Peter the Great Saint-Petersburg Polytechnic university

Email: kir.karasyov2017@yandex.ru
Russian Federation, 195251, Saint-Petersburg

A. I. Titov

Peter the Great Saint-Petersburg Polytechnic university

Email: kir.karasyov2017@yandex.ru
Russian Federation, 195251, Saint-Petersburg

P. A. Karaseov

Peter the Great Saint-Petersburg Polytechnic university

Email: platon.karaseov@spbstu.ru
Russian Federation, 195251, Saint-Petersburg

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2. Fig. 1. Average crater depth (a) and parapet height (b) on the surface of a silicon crystal depending on the initial energy of the C60 ion at temperatures of 0 (1, 2) and 1000 K (3, 4). Comparison for the Airebo (1, 3) and Tersoff (2, 4) interaction potentials.

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3. Fig. 2. Average value of the radial coordinate of carbon atoms depending on the initial energy of the C60 ion at temperatures of 0 (1, 2) and 1000 K (3, 4) and the Airebo (1, 3) and Tersoff (2, 4) interaction potentials.

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4. Fig. 3. Average number of sputtered silicon (1–4) and carbon (1 ′–4 ′) atoms at temperatures of 0 (1, 1 ′, 2, 2 ′) and 1000 K (3, 3 ′, 4, 4 ′) and Airebo (1, 1′, 3, 3 ′) and Tersoff (2, 2 ′, 4, 4 ′) interaction potentials.

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5. Fig. 4. Cross-section of a 20 Å thick silicon crystal after 30 C60 molecules with energies of 2, 8 and 14 keV have been successively dropped onto its surface. Si atoms are light, C atoms are dark.

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6. Fig. 5. Total number of sputtered atoms during successive incidence of C60 ions on the surface of a silicon crystal for energies of 8 (1, 2) and 14 keV (3, 4) and Tersoff (1, 3) and Aire- bo (2, 4) potentials. Every 10 incident ions are equivalent to a fluence of 3.4 × 1013 cm–2.

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