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Title: Big Data in Reciprocal Space: Sliding Fast Fourier Transforms for Determining Periodicity

Abstract

Significant advances in atomically resolved imaging of crystals and surfaces have occurred in the last decade allowing unprecedented insight into local crystal structures and periodicity. Yet, the analysis of the long-range periodicity from the local imaging data, critical to correlation of functional properties and chemistry to the local crystallography, remains a challenge. Here, we introduce a Sliding Fast Fourier Transform (FFT) filter to analyze atomically resolved images of in-situ grown La5/8Ca3/8MnO3 films. We demonstrate the ability of sliding FFT algorithm to differentiate two sub-lattices, resulting from a mixed-terminated surface. Principal Component Analysis (PCA) and Independent Component Analysis (ICA) of the Sliding FFT dataset reveal the distinct changes in crystallography, step edges and boundaries between the multiple sub-lattices. The method is universal for images with any periodicity, and is especially amenable to atomically resolved probe and electron-microscopy data for rapid identification of the sub-lattices present.

Authors:
 [1];  [1];  [1];  [1];  [1];  [1];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1185879
Alternate Identifier(s):
OSTI ID: 1420542
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 106; Journal Issue: 9; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING; 74 ATOMIC AND MOLECULAR PHYSICS; Atomic Structure; Periodicity; Fourier Transforms; Big-Data

Citation Formats

Vasudevan, Rama K., Belianinov, Alex, Gianfrancesco, Anthony G., Baddorf, Arthur P., Tselev, Alexander, Kalinin, Sergei V., and Jesse, Stephen. Big Data in Reciprocal Space: Sliding Fast Fourier Transforms for Determining Periodicity. United States: N. p., 2015. Web. doi:10.1063/1.4914016.
Vasudevan, Rama K., Belianinov, Alex, Gianfrancesco, Anthony G., Baddorf, Arthur P., Tselev, Alexander, Kalinin, Sergei V., & Jesse, Stephen. Big Data in Reciprocal Space: Sliding Fast Fourier Transforms for Determining Periodicity. United States. doi:10.1063/1.4914016.
Vasudevan, Rama K., Belianinov, Alex, Gianfrancesco, Anthony G., Baddorf, Arthur P., Tselev, Alexander, Kalinin, Sergei V., and Jesse, Stephen. Tue . "Big Data in Reciprocal Space: Sliding Fast Fourier Transforms for Determining Periodicity". United States. doi:10.1063/1.4914016. https://www.osti.gov/servlets/purl/1185879.
@article{osti_1185879,
title = {Big Data in Reciprocal Space: Sliding Fast Fourier Transforms for Determining Periodicity},
author = {Vasudevan, Rama K. and Belianinov, Alex and Gianfrancesco, Anthony G. and Baddorf, Arthur P. and Tselev, Alexander and Kalinin, Sergei V. and Jesse, Stephen},
abstractNote = {Significant advances in atomically resolved imaging of crystals and surfaces have occurred in the last decade allowing unprecedented insight into local crystal structures and periodicity. Yet, the analysis of the long-range periodicity from the local imaging data, critical to correlation of functional properties and chemistry to the local crystallography, remains a challenge. Here, we introduce a Sliding Fast Fourier Transform (FFT) filter to analyze atomically resolved images of in-situ grown La5/8Ca3/8MnO3 films. We demonstrate the ability of sliding FFT algorithm to differentiate two sub-lattices, resulting from a mixed-terminated surface. Principal Component Analysis (PCA) and Independent Component Analysis (ICA) of the Sliding FFT dataset reveal the distinct changes in crystallography, step edges and boundaries between the multiple sub-lattices. The method is universal for images with any periodicity, and is especially amenable to atomically resolved probe and electron-microscopy data for rapid identification of the sub-lattices present.},
doi = {10.1063/1.4914016},
journal = {Applied Physics Letters},
number = 9,
volume = 106,
place = {United States},
year = {Tue Mar 03 00:00:00 EST 2015},
month = {Tue Mar 03 00:00:00 EST 2015}
}

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Cited by: 13 works
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Works referenced in this record:

Nanoscale Domain Control in Multiferroic BiFeO3 Thin Films
journal, September 2006

  • Chu, Y.-H.; Zhan, Q.; Martin, L. W.
  • Advanced Materials, Vol. 18, Issue 17, p. 2307-2311
  • DOI: 10.1002/adma.200601098

Scattering and Interference in Epitaxial Graphene
journal, July 2007

  • Rutter, G. M.; Crain, J. N.; Guisinger, N. P.
  • Science, Vol. 317, Issue 5835, p. 219-222
  • DOI: 10.1126/science.1142882

Two-dimensional electron gas with universal subbands at the surface of SrTiO3
journal, January 2011

  • Santander-Syro, A. F.; Copie, O.; Kondo, T.
  • Nature, Vol. 469, Issue 7329, p. 189-193
  • DOI: 10.1038/nature09720