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Title: Big data in reciprocal space: Sliding fast Fourier transforms for determining periodicity

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 La{sub 5/8}Ca{sub 3/8}MnO{sub 3} (LCMO) films. We demonstrate the ability of sliding FFT algorithm to differentiate two sub-lattices, resulting from a mixed-terminated surface. Principal Component Analysis and Independent Component Analysis of the Sliding FFT dataset reveal the distinct changes in crystallography, step edges, and boundaries between the multiple sub-lattices. The implications for the LCMO system are discussed. 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] ;  [2] ;  [3] ;  [1] ;  [2] ;  [2]
  1. Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)
  2. (United States)
  3. UT/ORNL Bredesen Center, University of Tennessee, Knoxville, Tennessee 37996 (United States)
Publication Date:
OSTI Identifier:
22412745
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 106; Journal Issue: 9; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALGORITHMS; CORRELATIONS; CRYSTAL STRUCTURE; CRYSTALS; ELECTRON MICROSCOPY; FILMS; FILTERS; FOURIER TRANSFORMATION; IMAGES; PERIODICITY; PROBES; SURFACES