Supercomputer modeling of the ion beam sputtering process: full-atomistic level

F. V. Grigoriev; A. V. Sulimov; I. V. Kochikov; O. A. Kondakova; V. B. Sulimov; A. V. Tikhonravov

doi:10.1117/12.2190938

23 September 2015 Supercomputer modeling of the ion beam sputtering process: full-atomistic level

F. V. Grigoriev, A. V. Sulimov, I. V. Kochikov, O. A. Kondakova, V. B. Sulimov, A. V. Tikhonravov

Proceedings Volume 9627, Optical Systems Design 2015: Advances in Optical Thin Films V; 962708 (2015) https://doi.org/10.1117/12.2190938
Event: SPIE Optical Systems Design, 2015, Jena, Germany

Abstract

A new method for supercomputer atomistic modeling of the ion beam sputtering process is presented allowing atomistic modeling of the systems consisting of 10⁶ – 10⁸ atoms. Deposition process is organized as a sequence of molecular dynamic cycles in which deposited atoms interact with the substrate with earlier deposited atoms and form new chemical bonds. The method is applied to the modeling of SiO₂ thin optical films. For interatomic potential energy calculation the original DESIL force field with high computational efficiency has been developed. Atomistic modeling of the deposition processes with different Si atom energies is performed for the films with thicknesses up to 30 nm (about one million deposited atoms). Dependence of thin film density on film thickness is investigated. It is found that film densities depend on the energy of sputtered atoms and exceed the density of fused silica substrate by 0.1-0.2 g/cm³. In all experiments interface layers with the thicknesses of about 1-2 nm between thin film and substrate are observed.

Citation Download Citation

F. V. Grigoriev, A. V. Sulimov, I. V. Kochikov, O. A. Kondakova, V. B. Sulimov, and A. V. Tikhonravov "Supercomputer modeling of the ion beam sputtering process: full-atomistic level", Proc. SPIE 9627, Optical Systems Design 2015: Advances in Optical Thin Films V, 962708 (23 September 2015); https://doi.org/10.1117/12.2190938

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