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Molecular Dynamics Modeling of the Deposition of Thin Films Consisting of Layers of Alternating Density

  • PROCEEDINGS OF THE CONFERENCE “PHYSICAL CHEMISTRY IN RUSSIA AND BEYOND: FROM QUANTUM CHEMISTRY TO EXPERIMENT” (CHERNOGOLOVKA)
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Abstract

Deposition of a thin film consisting of alternating dense and porous layers is modeled via classical molecular dynamics. The structural parameters of the film are calculated. In modeling the annealing of the deposited film, the concentration of main point defects was found to fall appreciably in all layers of the film. Based on correlations between the density and the refractive index, it is established that the refractive index varies from 1.3 to 1.49, reaching its minimum value in the most porous layers. Such layers can be used in designing multilayer optical coatings that allow light transmission and reflection within specified wavelength ranges.

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Funding

This work was supported by the Russian Science Foundation, grant no. 19-11-00053.

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Authors and Affiliations

  1. Computer Research Center, Moscow State University, 119991, Moscow, Russia

    F. V. Grigor’ev, V. B. Sulimov & A. V. Tikhonravov

Authors
  1. F. V. Grigor’ev
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  2. V. B. Sulimov
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  3. A. V. Tikhonravov
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Correspondence to F. V. Grigor’ev.

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Translated by K. Utegenov

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Grigor’ev, F.V., Sulimov, V.B. & Tikhonravov, A.V. Molecular Dynamics Modeling of the Deposition of Thin Films Consisting of Layers of Alternating Density. Russ. J. Phys. Chem. 94, 979–983 (2020). https://doi.org/10.1134/S003602442005009X

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