High-speed x-ray reflectometry for characterization of thin film growth at high deposition rates

We present a high-throughput, real-time study of PTCDI- <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:msub> <a:mi mathvariant="normal">C</a:mi> <a:mn>8</a:mn> </a:msub> </a:math> thin film growth using quick x-ray reflectivity (qXRR) with 12 ms time resolution, combined with machine learning-based analysis. qXRR enables monitoring of vacuum deposition at growth rates from 1 to <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"> <c:mrow> <c:mn>30</c:mn> <c:mspace width="0.16em"/> <c:mo>Å</c:mo> <c:mo>/</c:mo> <c:mi mathvariant="normal">s</c:mi> </c:mrow> </c:math> , accessing a previously unexplored regime in molecular beam deposition. To efficiently analyze the resulting <f:math xmlns:f="http://www.w3.org/1998/Math/MathML"> <f:mrow> <f:mo>∼</f:mo> <f:mn>20</f:mn> <f:mspace width="0.16em"/> <f:mn>000</f:mn> </f:mrow> </f:math> reflectivity curves, we employ a convolutional neural network trained on a physics-informed multilayer model. This approach robustly extracts key structural parameters—including thickness, roughness, and crystalline versus amorphous content—from noisy data. We quantify interface roughness as a function of both film thickness and growth rate, identifying rapid roughening with a scaling exponent of <h:math xmlns:h="http://www.w3.org/1998/Math/MathML"> <h:mrow> <h:mi>β</h:mi> <h:mo>=</h:mo> <h:mn>0.62</h:mn> </h:mrow> </h:math> with film thickness and a secondary scaling exponent of <i:math xmlns:i="http://www.w3.org/1998/Math/MathML"> <i:mrow> <i:mi>γ</i:mi> <i:mo>=</i:mo> <i:mn>0.21</i:mn> </i:mrow> </i:math> with growth rate. Additionally, we observe a reduction in the coherently ordered film thickness and a rise in amorphous content at higher deposition rates. These results demonstrate that combining qXRR with machine learning provides quantitative access to fast kinetic growth processes, offering a powerful tool for characterization and morphological control in organic thin film fabrication.

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Journal
Physical review. B./Physical review. B
Published
2025-09-04
DOI
https://doi.org/10.1103/xxx9-8tk2
Primary Topic
Machine Learning in Materials Science
Type
article
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article

High-speed x-ray reflectometry for characterization of thin film growth at high deposition rates

Stefan Kowarik, David Mareček, Andrew R. J. Nelson, Florian Bertram et al.
Physical review. B./Physical review. B
Machine Learning in Materials Science
article

High-speed x-ray reflectometry for characterization of thin film growth at high deposition rates

Stefan Kowarik, David Mareček, Andrew R. J. Nelson, Florian Bertram, Maximilian Eder, Erwin Pfeiler
article en

Abstract

We present a high-throughput, real-time study of PTCDI- <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:msub> <a:mi mathvariant="normal">C</a:mi> <a:mn>8</a:mn> </a:msub> </a:math> thin film growth using quick x-ray reflectivity (qXRR) with 12 ms time resolution, combined with machine learning-based analysis. qXRR enables monitoring of vacuum deposition at growth rates from 1 to <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"> <c:mrow> <c:mn>30</c:mn> <c:mspace width="0.16em"/> <c:mo>Å</c:mo> <c:mo>/</c:mo> <c:mi mathvariant="normal">s</c:mi> </c:mrow> </c:math> , accessing a previously unexplored regime in molecular beam deposition. To efficiently analyze the resulting <f:math xmlns:f="http://www.w3.org/1998/Math/MathML"> <f:mrow> <f:mo>∼</f:mo> <f:mn>20</f:mn> <f:mspace width="0.16em"/> <f:mn>000</f:mn> </f:mrow> </f:math> reflectivity curves, we employ a convolutional neural network trained on a physics-informed multilayer model. This approach robustly extracts key structural parameters—including thickness, roughness, and crystalline versus amorphous content—from noisy data. We quantify interface roughness as a function of both film thickness and growth rate, identifying rapid roughening with a scaling exponent of <h:math xmlns:h="http://www.w3.org/1998/Math/MathML"> <h:mrow> <h:mi>β</h:mi> <h:mo>=</h:mo> <h:mn>0.62</h:mn> </h:mrow> </h:math> with film thickness and a secondary scaling exponent of <i:math xmlns:i="http://www.w3.org/1998/Math/MathML"> <i:mrow> <i:mi>γ</i:mi> <i:mo>=</i:mo> <i:mn>0.21</i:mn> </i:mrow> </i:math> with growth rate. Additionally, we observe a reduction in the coherently ordered film thickness and a rise in amorphous content at higher deposition rates. These results demonstrate that combining qXRR with machine learning provides quantitative access to fast kinetic growth processes, offering a powerful tool for characterization and morphological control in organic thin film fabrication.

Physical review. B./Physical review. BVol. 112(23)
Australian Nuclear Science and Technology Organisation (AU), University of Graz (AT), Deutsches Elektronen-Synchrotron DESY (DE)
Bundesministerium für Bildung und Forschung, Austrian Science Fund, Deutsches Elektronen-Synchrotron
Openalex Percentile: Top 68%
Machine Learning in Materials Science
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