Probing growth precursor diffusion lengths by inter-surface diffusion

Understanding and optimizing thin-film synthesis requires measuring the diffusion length d α of adsorbed growth precursors. Despite technological advances, in-situ measurements of d α are often unachievable due to harsh deposition conditions, such as high temperatures or reactive environments. In this paper, we propose a fitting approach to determine d α from experimental data by leveraging inter-surface diffusion between a substrate and a strip obtained by, for example, processing a film. The substrate serves as a source or sink of precursors, which influences the growth dynamics and shapes the strip profile. By fitting simulated profiles to given profiles, we demonstrate that d α can be determined. To achieve this, we develop a theoretical growth model and a simulation strategy. The growth model incorporates inter-surface diffusion, adsorption, and desorption of growth precursors, with growth being proportional to the concentration of adsorbed precursors. In our simulations, a chain of nodes represents a profile, and growth is captured by the displacement of those nodes, while keeping the node density approximately constant. For strips significantly wider than d α , a dimensionless precursor concentration and d α are the fitting parameters that are determined by optimizing a suitably defined measure of the similarity between simulated and given profiles. We examine how variations in model parameters influence growth dynamics. We also evaluate the robustness of our procedure by analyzing the effect of profile resolution and noise on the fitted parameters. Our approach can offer valuable insights into thin-film growth processes, such as those occurring during plasma-enhanced chemical vapor deposition.

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Publication Details

Journal
Computer Physics Communications
Published
2025-05-19
DOI
https://doi.org/10.1016/j.cpc.2025.109671
Primary Topic
Force Microscopy Techniques and Applications
Type
article
Field-Weighted Citation Impact
0.00

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article

Probing growth precursor diffusion lengths by inter-surface diffusion

Francisco S. Forte Neto, Stoffel D. Janssens, David Vázquez-Cortés, Eliot Fried et al.
Computer Physics Communications
Force Microscopy Techniques and Applications
article

Probing growth precursor diffusion lengths by inter-surface diffusion

Francisco S. Forte Neto, Stoffel D. Janssens, David Vázquez-Cortés, Eliot Fried, Fernando Pereira Duda
article en

Abstract

Understanding and optimizing thin-film synthesis requires measuring the diffusion length d α of adsorbed growth precursors. Despite technological advances, in-situ measurements of d α are often unachievable due to harsh deposition conditions, such as high temperatures or reactive environments. In this paper, we propose a fitting approach to determine d α from experimental data by leveraging inter-surface diffusion between a substrate and a strip obtained by, for example, processing a film. The substrate serves as a source or sink of precursors, which influences the growth dynamics and shapes the strip profile. By fitting simulated profiles to given profiles, we demonstrate that d α can be determined. To achieve this, we develop a theoretical growth model and a simulation strategy. The growth model incorporates inter-surface diffusion, adsorption, and desorption of growth precursors, with growth being proportional to the concentration of adsorbed precursors. In our simulations, a chain of nodes represents a profile, and growth is captured by the displacement of those nodes, while keeping the node density approximately constant. For strips significantly wider than d α , a dimensionless precursor concentration and d α are the fitting parameters that are determined by optimizing a suitably defined measure of the similarity between simulated and given profiles. We examine how variations in model parameters influence growth dynamics. We also evaluate the robustness of our procedure by analyzing the effect of profile resolution and noise on the fitted parameters. Our approach can offer valuable insights into thin-film growth processes, such as those occurring during plasma-enhanced chemical vapor deposition.

Computer Physics CommunicationsVol. 314
Universidade Federal do Rio de Janeiro (BR), Okinawa Institute of Science and Technology Graduate University (JP)
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, Cabinet Office, Government of Japan, Okinawa Institute of Science and Technology Graduate University
Openalex Percentile: Top 92%
Force Microscopy Techniques and Applications
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