skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Building ferroelectric from the bottom up: The machine learning analysis of the atomic-scale ferroelectric distortions

Abstract

Recent advances in scanning transmission electron microscopy (STEM) have enabled direct visualization of the atomic structure of ferroic materials, enabling the determination of atomic column positions with approximately picometer precision. This, in turn, enabled direct mapping of ferroelectric and ferroelastic order parameter fields via the top-down approach, where the atomic coordinates are directly mapped on the mesoscopic order parameters. In this paper, we explore the alternative bottom-up approach, where the atomic coordinates derived from the STEM image are used to explore the extant atomic displacement patterns in the material and build the collection of the building blocks for the distorted lattice. Lastly, this approach is illustrated for the La-doped BiFeO3 system.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [2]; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. South China Normal University, Guangzhou (China)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1550749
Alternate Identifier(s):
OSTI ID: 1546099
Grant/Contract Number:  
AC05-00OR22725; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 115; Journal Issue: 5; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Ziatdinov, Maxim A., Nelson, Christopher, Vasudevan, Rama K., Chen, Deyang, and Kalinin, Sergei V. Building ferroelectric from the bottom up: The machine learning analysis of the atomic-scale ferroelectric distortions. United States: N. p., 2019. Web. doi:10.1063/1.5109520.
Ziatdinov, Maxim A., Nelson, Christopher, Vasudevan, Rama K., Chen, Deyang, & Kalinin, Sergei V. Building ferroelectric from the bottom up: The machine learning analysis of the atomic-scale ferroelectric distortions. United States. doi:10.1063/1.5109520.
Ziatdinov, Maxim A., Nelson, Christopher, Vasudevan, Rama K., Chen, Deyang, and Kalinin, Sergei V. Fri . "Building ferroelectric from the bottom up: The machine learning analysis of the atomic-scale ferroelectric distortions". United States. doi:10.1063/1.5109520. https://www.osti.gov/servlets/purl/1550749.
@article{osti_1550749,
title = {Building ferroelectric from the bottom up: The machine learning analysis of the atomic-scale ferroelectric distortions},
author = {Ziatdinov, Maxim A. and Nelson, Christopher and Vasudevan, Rama K. and Chen, Deyang and Kalinin, Sergei V.},
abstractNote = {Recent advances in scanning transmission electron microscopy (STEM) have enabled direct visualization of the atomic structure of ferroic materials, enabling the determination of atomic column positions with approximately picometer precision. This, in turn, enabled direct mapping of ferroelectric and ferroelastic order parameter fields via the top-down approach, where the atomic coordinates are directly mapped on the mesoscopic order parameters. In this paper, we explore the alternative bottom-up approach, where the atomic coordinates derived from the STEM image are used to explore the extant atomic displacement patterns in the material and build the collection of the building blocks for the distorted lattice. Lastly, this approach is illustrated for the La-doped BiFeO3 system.},
doi = {10.1063/1.5109520},
journal = {Applied Physics Letters},
number = 5,
volume = 115,
place = {United States},
year = {2019},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Spontaneous Vortex Nanodomain Arrays at Ferroelectric Heterointerfaces
journal, February 2011

  • Nelson, Christopher T.; Winchester, Benjamin; Zhang, Yi
  • Nano Letters, Vol. 11, Issue 2
  • DOI: 10.1021/nl1041808

A Strain-Driven Antiferroelectric-to-Ferroelectric Phase Transition in La-Doped BiFeO 3 Thin Films on Si
journal, August 2017


Quantification of flexoelectricity in PbTiO3/SrTiO3 superlattice polar vortices using machine learning and phase-field modeling
journal, November 2017


Deep data analysis via physically constrained linear unmixing: universal framework, domain examples, and a community-wide platform
journal, April 2018

  • Kannan, R.; Ievlev, A. V.; Laanait, N.
  • Advanced Structural and Chemical Imaging, Vol. 4, Issue 1
  • DOI: 10.1186/s40679-018-0055-8

Principal component and spatial correlation analysis of spectroscopic-imaging data in scanning probe microscopy
journal, February 2009


Ferroelectric, dielectric and piezoelectric properties of ferroelectric thin films and ceramics
journal, September 1998


Interface dipole between two metallic oxides caused by localized oxygen vacancies
journal, October 2012


Compositional disorder, polar nanoregions and dipole dynamics in Pb(Mg 1/3 Nb 2/3 )O 3 -based relaxor ferroelectrics
journal, February 2011

  • Bokov, Alexei A.; Rodriguez, Brian J.; Zhao, Xiaohui
  • Zeitschrift für Kristallographie, Vol. 226, Issue 2
  • DOI: 10.1524/zkri.2011.1299

Atomic-scale evolution of modulated phases at the ferroelectric–antiferroelectric morphotropic phase boundary controlled by flexoelectric interaction
journal, January 2012

  • Borisevich, A. Y.; Eliseev, E. A.; Morozovska, A. N.
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms1778

Switching properties of self-assembled ferroelectric memory cells
journal, August 1999

  • Alexe, M.; Gruverman, A.; Harnagea, C.
  • Applied Physics Letters, Vol. 75, Issue 8
  • DOI: 10.1063/1.124628

Polarization Dynamics in Ferroelectric Capacitors: Local Perspective on Emergent Collective Behavior and Memory Effects
journal, April 2013

  • K. Vasudevan, Rama; Marincel, Daniel; Jesse, Stephen
  • Advanced Functional Materials, Vol. 23, Issue 20
  • DOI: 10.1002/adfm.201203422

Mixed electrochemical–ferroelectric states in nanoscale ferroelectrics
journal, May 2017

  • Yang, Sang Mo; Morozovska, Anna N.; Kumar, Rajeev
  • Nature Physics, Vol. 13, Issue 8
  • DOI: 10.1038/nphys4103

Unraveling Deterministic Mesoscopic Polarization Switching Mechanisms: Spatially Resolved Studies of a Tilt Grain Boundary in Bismuth Ferrite
journal, July 2009

  • Rodriguez, Brian J.; Choudhury, Samrat; Chu, Y. H.
  • Advanced Functional Materials, Vol. 19, Issue 13
  • DOI: 10.1002/adfm.200900100

Ferroelectric thin films: Review of materials, properties, and applications
journal, September 2006

  • Setter, N.; Damjanovic, D.; Eng, L.
  • Journal of Applied Physics, Vol. 100, Issue 5
  • DOI: 10.1063/1.2336999

Direct effect of illumination on ferroelectric properties of lead zirconate titanate thin films
journal, September 2001

  • Kholkin, A. L.; Iakovlev, S. O.; Baptista, J. L.
  • Applied Physics Letters, Vol. 79, Issue 13
  • DOI: 10.1063/1.1402639

A hard X-ray nanoprobe beamline for nanoscale microscopy
journal, September 2012

  • Winarski, Robert P.; Holt, Martin V.; Rose, Volker
  • Journal of Synchrotron Radiation, Vol. 19, Issue 6
  • DOI: 10.1107/S0909049512036783

Deep data mining in a real space: separation of intertwined electronic responses in a lightly doped BaFe 2 As 2
journal, October 2016


Functional electronic inversion layers at ferroelectric domain walls
journal, March 2017

  • Mundy, J. A.; Schaab, J.; Kumagai, Y.
  • Nature Materials, Vol. 16, Issue 6
  • DOI: 10.1038/nmat4878

Atomic-Scale Compensation Phenomena at Polar Interfaces
journal, November 2010


Exploring Mesoscopic Physics of Vacancy-Ordered Systems through Atomic Scale Observations of Topological Defects
journal, August 2012


Evidence for domain-type dynamics in the ergodic phase of the PbMg 1 / 3 Nb 2 / 3 O 3 relaxor ferroelectric
journal, May 1996


Algorithm AS 136: A K-Means Clustering Algorithm
journal, January 1979

  • Hartigan, J. A.; Wong, M. A.
  • Applied Statistics, Vol. 28, Issue 1
  • DOI: 10.2307/2346830

Piezoresponse Force Microscopy: A Window into Electromechanical Behavior at the Nanoscale
journal, September 2009

  • Bonnell, D. A.; Kalinin, S. V.; Kholkin, A. L.
  • MRS Bulletin, Vol. 34, Issue 9
  • DOI: 10.1557/mrs2009.176

Local polarization dynamics in ferroelectric materials
journal, April 2010

  • Kalinin, Sergei V.; Morozovska, Anna N.; Chen, Long Qing
  • Reports on Progress in Physics, Vol. 73, Issue 5, Article No. 056502
  • DOI: 10.1088/0034-4885/73/5/056502

Polarization Control of Electron Tunneling into Ferroelectric Surfaces
journal, June 2009


Nanoscale ferroelectrics: processing, characterization and future trends
journal, July 2006


Independent component analysis: algorithms and applications
journal, June 2000


Unit-cell scale mapping of ferroelectricity and tetragonality in epitaxial ultrathin ferroelectric films
journal, December 2006

  • Jia, Chun-Lin; Nagarajan, Valanoor; He, Jia-Qing
  • Nature Materials, Vol. 6, Issue 1
  • DOI: 10.1038/nmat1808

Learning the parts of objects by non-negative matrix factorization
journal, October 1999

  • Lee, Daniel D.; Seung, H. Sebastian
  • Nature, Vol. 401, Issue 6755
  • DOI: 10.1038/44565

Robust text-independent speaker identification using Gaussian mixture speaker models
journal, January 1995

  • Reynolds, D. A.; Rose, R. C.
  • IEEE Transactions on Speech and Audio Processing, Vol. 3, Issue 1
  • DOI: 10.1109/89.365379

The Physics of Ferroelectric Memories
journal, July 1998

  • Auciello, Orlando; Scott, James F.; Ramesh, Ramamoorthy
  • Physics Today, Vol. 51, Issue 7
  • DOI: 10.1063/1.882324

Ferroelectric domain wall pinning at a bicrystal grain boundary in bismuth ferrite
journal, October 2008

  • Rodriguez, Brian J.; Chu, Y. H.; Ramesh, R.
  • Applied Physics Letters, Vol. 93, Issue 14
  • DOI: 10.1063/1.2993327

Universal emergence of spatially modulated structures induced by flexoantiferrodistortive coupling in multiferroics
journal, December 2013


Probing oxygen vacancy concentration and homogeneity in solid-oxide fuel-cell cathode materials on the subunit-cell level
journal, August 2012

  • Kim, Young-Min; He, Jun; Biegalski, Michael D.
  • Nature Materials, Vol. 11, Issue 10
  • DOI: 10.1038/nmat3393