Argon clustering in silicon under low-energy irradiation: Molecular dynamics simulation with different Ar-Si potentials

AA Sycheva and EN Voronina and TV Rakhimova and AT Rakhimov, JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A, 36, 061303 (2018).

DOI: 10.1116/1.5050325

In this paper, the authors carried out a molecular dynamics simulation of crystal and amorphous silicon sputtering by low-energy (200 eV) Ar ions at normal incidence. The gradual damage of silicon caused by the ion bombardment was taken into account in order to study the dynamics of argon accumulation and clustering. For describing interatomic Ar-Si interaction, they used three different potentials: two binary screened Coulomb potentials (Moliere and Ziegler-Biersack-Littmark) and the potential developed on the basis of density functional theory. The obtained results demonstrated the substantial influence of the chosen Ar-Si potential on calculated sputtering yields and on the processes of argon accumulation and clustering. Published by the AVS.

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