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Improvement of data analytics techniques in reflection high-energy electron diffraction to enable machine learning.

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Title: Improvement of data analytics techniques in reflection high-energy electron diffraction to enable machine learning.
Authors: Gemperline, Patrick T.1 (AUTHOR), Paudel, Rajendra1 (AUTHOR), Vasudevan, Rama K.2 (AUTHOR), Comes, Ryan B.1,3 (AUTHOR) comes@udel.edu
Source: Journal of Vacuum Science & Technology: Part A-Vacuums, Surfaces & Films. May2025, Vol. 43 Issue 3, p1-8. 8p.
Subjects: Reflection high energy electron diffraction, Machine learning, Perovskite analysis, K-means clustering, Data analytics, Molecular beam epitaxy, Real-time computing, Principal components analysis
Abstract: Perovskite oxides such as LaFeO 3 are a well-studied family of materials that possess a wide range of useful and novel properties. Successfully synthesizing perovskite oxide samples usually requires a significant number of growth attempts and a detailed film characterization on each sample to find the optimal growth window of a material. The most common real-time in situ diagnostic technique available during molecular beam epitaxy (MBE) synthesis is reflection high-energy electron diffraction (RHEED). Conventional use of RHEED allows a highly experienced operator to determine growth rate by monitoring intensity oscillations and make some qualitative observations during growth, such as recognizing the sample has become amorphous or recognizing that large islands have formed on the surface. However, due to a lack of theoretical understanding of the diffraction patterns, finer, more precise levels of observations are challenging. To address these limitations, we implement new data analytics techniques in the growth of three LaFeO 3 samples on Nb-doped SrTiO 3 by MBE. These techniques improve our ability to perform unsupervised machine learning using principal component analysis (PCA) and k -means clustering by using drift correction to overcome sample or stage motion during growth and intensity transformations that highlight more subtle features in the images such as Kikuchi bands. With this approach, we enable the first demonstration of PCA and k -means across multiple samples, allowing for quantitative comparison of RHEED videos for two LaFeO 3 film samples. These capabilities set the stage for real-time processing of RHEED data during growth to enable machine learning-accelerated film synthesis. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Vacuum Science & Technology: Part A-Vacuums, Surfaces & Films is the property of American Institute of Physics and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 185107602
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PubType: Academic Journal
PubTypeId: academicJournal
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  Data: <searchLink fieldCode="DE" term="%22Reflection+high+energy+electron+diffraction%22">Reflection high energy electron diffraction</searchLink><br /><searchLink fieldCode="DE" term="%22Machine+learning%22">Machine learning</searchLink><br /><searchLink fieldCode="DE" term="%22Perovskite+analysis%22">Perovskite analysis</searchLink><br /><searchLink fieldCode="DE" term="%22K-means+clustering%22">K-means clustering</searchLink><br /><searchLink fieldCode="DE" term="%22Data+analytics%22">Data analytics</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+beam+epitaxy%22">Molecular beam epitaxy</searchLink><br /><searchLink fieldCode="DE" term="%22Real-time+computing%22">Real-time computing</searchLink><br /><searchLink fieldCode="DE" term="%22Principal+components+analysis%22">Principal components analysis</searchLink>
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  Data: Perovskite oxides such as LaFeO 3 are a well-studied family of materials that possess a wide range of useful and novel properties. Successfully synthesizing perovskite oxide samples usually requires a significant number of growth attempts and a detailed film characterization on each sample to find the optimal growth window of a material. The most common real-time in situ diagnostic technique available during molecular beam epitaxy (MBE) synthesis is reflection high-energy electron diffraction (RHEED). Conventional use of RHEED allows a highly experienced operator to determine growth rate by monitoring intensity oscillations and make some qualitative observations during growth, such as recognizing the sample has become amorphous or recognizing that large islands have formed on the surface. However, due to a lack of theoretical understanding of the diffraction patterns, finer, more precise levels of observations are challenging. To address these limitations, we implement new data analytics techniques in the growth of three LaFeO 3 samples on Nb-doped SrTiO 3 by MBE. These techniques improve our ability to perform unsupervised machine learning using principal component analysis (PCA) and k -means clustering by using drift correction to overcome sample or stage motion during growth and intensity transformations that highlight more subtle features in the images such as Kikuchi bands. With this approach, we enable the first demonstration of PCA and k -means across multiple samples, allowing for quantitative comparison of RHEED videos for two LaFeO 3 film samples. These capabilities set the stage for real-time processing of RHEED data during growth to enable machine learning-accelerated film synthesis. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
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  Group: Ab
  Data: <i>Copyright of Journal of Vacuum Science & Technology: Part A-Vacuums, Surfaces & Films is the property of American Institute of Physics and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1116/6.0004400
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      – Code: eng
        Text: English
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      Pagination:
        PageCount: 8
        StartPage: 1
    Subjects:
      – SubjectFull: Reflection high energy electron diffraction
        Type: general
      – SubjectFull: Machine learning
        Type: general
      – SubjectFull: Perovskite analysis
        Type: general
      – SubjectFull: K-means clustering
        Type: general
      – SubjectFull: Data analytics
        Type: general
      – SubjectFull: Molecular beam epitaxy
        Type: general
      – SubjectFull: Real-time computing
        Type: general
      – SubjectFull: Principal components analysis
        Type: general
    Titles:
      – TitleFull: Improvement of data analytics techniques in reflection high-energy electron diffraction to enable machine learning.
        Type: main
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            NameFull: Gemperline, Patrick T.
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            NameFull: Paudel, Rajendra
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            NameFull: Vasudevan, Rama K.
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            NameFull: Comes, Ryan B.
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            – D: 01
              M: 05
              Text: May2025
              Type: published
              Y: 2025
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              Value: 43
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            – TitleFull: Journal of Vacuum Science & Technology: Part A-Vacuums, Surfaces & Films
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