Exploring Physics of Ferroelectric Domain Walls in Real Time: Deep Learning Enabled Scanning Probe Microscopy

Liu, Yongtao; Kelley, Kyle P.; Funakubo, Hiroshi; Kalinin, Sergei V.; Ziatdinov, Maxim

doi:10.1002/advs.202203957

Title: Exploring Physics of Ferroelectric Domain Walls in Real Time: Deep Learning Enabled Scanning Probe Microscopy

Journal Article · Mon Sep 05 00:00:00 EDT 2022 · Advanced Science

DOI:https://doi.org/10.1002/advs.202203957· OSTI ID:1885605

^[1]; Kelley, Kyle P. ^[1]; Funakubo, Hiroshi ^[2]; Kalinin, Sergei V. ^[3]; Ziatdinov, Maxim ^[4]

Center for Nanophase Materials Sciences Oak Ridge National Laboratory Oak Ridge TN 37830 USA
Department of Material Science and Engineering Tokyo Institute of Technology Yokohama 226‐8502 Japan
Department of Materials Science and Engineering University of Tennessee Knoxville TN 37996 USA
Center for Nanophase Materials Sciences Oak Ridge National Laboratory Oak Ridge TN 37830 USA, Computational Sciences and Engineering Division Oak Ridge National Laboratory Oak Ridge TN 37830 USA

The functionality of ferroelastic domain walls in ferroelectric materials is explored in real-time via the in situ implementation of computer vision algorithms in scanning probe microscopy (SPM) experiment. The robust deep convolutional neural network (DCNN) is implemented based on a deep residual learning framework (Res) and holistically nested edge detection (Hed), and ensembled to minimize the out-of-distribution drift effects. The DCNN is implemented for real-time operations on SPM, converting the data stream into the semantically segmented image of domain walls and the corresponding uncertainty. Further the pre-defined experimental workflows perform piezoresponse spectroscopy measurement on thus discovered domain walls, and alternating high- and low-polarization dynamic (out-of-plane) ferroelastic domain walls in a PbTiO₃ (PTO) thin film and high polarization dynamic (out-of-plane) at short ferroelastic walls (compared with long ferroelastic walls) in a lead zirconate titanate (PZT) thin film is reported. This work establishes the framework for real-time DCNN analysis of data streams in scanning probe and other microscopies and highlights the role of out-of-distribution effects and strategies to ameliorate them in real time analytics.

View Journal Article

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Pennsylvania State Univ., University Park, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725; SC0021118

OSTI ID:: 1885605

Alternate ID(s):: OSTI ID: 1890323; OSTI ID: 1961600; OSTI ID: 1961607; OSTI ID: 1996026

Journal Information:: Advanced Science, Journal Name: Advanced Science Vol. 9 Journal Issue: 31; ISSN 2198-3844

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

References (58)

Dynamic piezoresponse force microscopy: Spatially resolved probing of polarization dynamics in time and voltage domains Kumar, A.; Ehara, Y.; Wada, A. Journal of Applied Physics, Vol. 112, Issue 5 https://doi.org/10.1063/1.4746080	journal	September 2012
Toward Decoding the Relationship between Domain Structure and Functionality in Ferroelectrics via Hidden Latent Variables Kalinin, Sergei V.; Kelley, Kyle; Vasudevan, Rama K. ACS Applied Materials & Interfaces, Vol. 13, Issue 1 https://doi.org/10.1021/acsami.0c15085	journal	January 2021
Deep Learning of Atomically Resolved Scanning Transmission Electron Microscopy Images: Chemical Identification and Tracking Local Transformations Ziatdinov, Maxim; Dyck, Ondrej; Maksov, Artem ACS Nano, Vol. 11, Issue 12 https://doi.org/10.1021/acsnano.7b07504	journal	October 2016
Domains in Ferroic Crystals and Thin Films Tagantsev, Alexander K.; Cross, L. Eric; Fousek, Jan https://doi.org/10.1007/978-1-4419-1417-0	book	January 2010
Ferroelectricity in boron-substituted aluminum nitride thin films Hayden, John; Hossain, Mohammad Delower; Xiong, Yihuang Physical Review Materials, Vol. 5, Issue 4 https://doi.org/10.1103/PhysRevMaterials.5.044412	journal	April 2021
Exploring Causal Physical Mechanisms via Non-Gaussian Linear Models and Deep Kernel Learning: Applications for Ferroelectric Domain Structures Liu, Yongtao; Ziatdinov, Maxim; Kalinin, Sergei V. ACS Nano, Vol. 16, Issue 1 https://doi.org/10.1021/acsnano.1c09059	journal	December 2021
Stacking-engineered ferroelectricity in bilayer boron nitride Yasuda, Kenji; Wang, Xirui; Watanabe, Kenji Science, Vol. 372, Issue 6549 https://doi.org/10.1126/science.abd3230	journal	May 2021
Wake‐Up in Al ₁₋ _x B _x N Ferroelectric Films Zhu, Wanlin; He, Fan; Hayden, John Advanced Electronic Materials, Vol. 8, Issue 6 https://doi.org/10.1002/aelm.202100931	journal	December 2021
Atomic-scale mechanisms of ferroelastic domain-wall-mediated ferroelectric switching Gao, Peng; Britson, Jason; Jokisaari, Jacob R. Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms3791	journal	November 2013
Conduction at domain walls in oxide multiferroics Seidel, J.; Martin, L. W.; He, Q. Nature Materials, Vol. 8, Issue 3 https://doi.org/10.1038/nmat2373	journal	January 2009
Watching domains grow: In-situ studies of polarization switching by combined scanning probe and scanning transmission electron microscopy Chang, Hyejung; Kalinin, Sergei V.; Yang, Seungyeul Journal of Applied Physics, Vol. 110, Issue 5 https://doi.org/10.1063/1.3623779	journal	September 2011
Depolarizing-field-mediated 180° switching in ferroelectric thin films with 90° domains Roelofs, A.; Pertsev, N. A.; Waser, R. Applied Physics Letters, Vol. 80, Issue 8 https://doi.org/10.1063/1.1448653	journal	February 2002
Revealing ferroelectric switching character using deep recurrent neural networks Agar, Joshua C.; Naul, Brett; Pandya, Shishir Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-12750-0	journal	October 2019
Formation of 90° elastic domains during local 180° switching in epitaxial ferroelectric thin films Chen, Lang; Ouyang, J.; Ganpule, C. S. Applied Physics Letters, Vol. 84, Issue 2 https://doi.org/10.1063/1.1633970	journal	January 2004
Enhanced ferroelectricity in ultrathin films grown directly on silicon Cheema, Suraj S.; Kwon, Daewoong; Shanker, Nirmaan Nature, Vol. 580, Issue 7804 https://doi.org/10.1038/s41586-020-2208-x	journal	April 2020
Ferroelectrics everywhere: Ferroelectricity in magnesium substituted zinc oxide thin films Ferri, Kevin; Bachu, Saiphaneendra; Zhu, Wanlin Journal of Applied Physics, Vol. 130, Issue 4 https://doi.org/10.1063/5.0053755	journal	July 2021
Domain wall conduction in multiaxial ferroelectrics Eliseev, Eugene A.; Morozovska, Anna N.; Svechnikov, George S. Physical Review B, Vol. 85, Issue 4 https://doi.org/10.1103/PhysRevB.85.045312	journal	January 2012
Highly enhanced ferroelectricity in HfO ₂ -based ferroelectric thin film by light ion bombardment Kang, Seunghun; Jang, Woo-Sung; Morozovska, Anna N. Science, Vol. 376, Issue 6594 https://doi.org/10.1126/science.abk3195	journal	May 2022
Anisotropic conductivity of uncharged domain walls in BiFeO $_{3}$ Morozovska, Anna N.; Vasudevan, Rama K.; Maksymovych, Peter Physical Review B, Vol. 86, Issue 8 https://doi.org/10.1103/PhysRevB.86.085315	journal	August 2012
Domain Walls of BaTiO ₃ and PbTiO ₃ Within Ginzburg-Landau-Devonshire Model Hlinka, J. Ferroelectrics, Vol. 375, Issue 1 https://doi.org/10.1080/00150190802437977	journal	December 2008
Atomic-scale study of electric dipoles near charged and uncharged domain walls in ferroelectric films Jia, Chun-Lin; Mi, Shao-Bo; Urban, Knut Nature Materials, Vol. 7, Issue 1 https://doi.org/10.1038/nmat2080	journal	December 2007
The Properties of Ferroelectric Films at Small Dimensions Shaw, T. M.; Trolier-McKinstry, S.; McIntyre, P. C. Annual Review of Materials Science, Vol. 30, Issue 1 https://doi.org/10.1146/annurev.matsci.30.1.263	journal	August 2000
Enhanced electric conductivity at ferroelectric vortex cores in BiFeO3 Balke, Nina; Winchester, Benjamin; Ren, Wei Nature Physics, Vol. 8, Issue 1 https://doi.org/10.1038/nphys2132	journal	November 2011
The Physics of Ferroelectric Memories Auciello, Orlando; Scott, James F.; Ramesh, Ramamoorthy Physics Today, Vol. 51, Issue 7 https://doi.org/10.1063/1.882324	journal	July 1998
Ferroelectric switching of a two-dimensional metal Fei, Zaiyao; Zhao, Wenjin; Palomaki, Tauno A. Nature, Vol. 560, Issue 7718 https://doi.org/10.1038/s41586-018-0336-3	journal	July 2018
Ferroelectricity in Simple Binary ZrO ₂ and HfO ₂ Müller, Johannes; Böscke, Tim S.; Schröder, Uwe Nano Letters, Vol. 12, Issue 8 https://doi.org/10.1021/nl302049k	journal	July 2012
Domain Dynamics During Ferroelectric Switching Nelson, C. T.; Gao, P.; Jokisaari, J. R. Science, Vol. 334, Issue 6058 https://doi.org/10.1126/science.1206980	journal	November 2011
Domain Wall Geometry Controls Conduction in Ferroelectrics Vasudevan, R. K.; Morozovska, A. N.; Eliseev, E. A. Nano Letters, Vol. 12, Issue 11 https://doi.org/10.1021/nl302382k	journal	September 2012
Strongly temperature dependent ferroelectric switching in AlN, Al _1-x Sc _x N, and Al _1-x B _x N thin films Zhu, Wanlin; Hayden, John; He, Fan Applied Physics Letters, Vol. 119, Issue 6 https://doi.org/10.1063/5.0057869	journal	August 2021
Disentangling Ferroelectric Wall Dynamics and Identification of Pinning Mechanisms via Deep Learning Liu, Yongtao; Proksch, Roger; Wong, Chun Yin Advanced Materials, Vol. 33, Issue 43 https://doi.org/10.1002/adma.202103680	journal	September 2021
scikit-image: image processing in Python van der Walt, Stéfan; Schönberger, Johannes L.; Nunez-Iglesias, Juan PeerJ, Vol. 2 https://doi.org/10.7717/peerj.453	journal	January 2014
Exploring leakage in dielectric films via automated experiments in scanning probe microscopy Liu, Yongtao; Fields, Shelby S.; Mimura, Takanori Applied Physics Letters, Vol. 120, Issue 18 https://doi.org/10.1063/5.0079217	journal	May 2022
AlScN: A III-V semiconductor based ferroelectric Fichtner, Simon; Wolff, Niklas; Lofink, Fabian Journal of Applied Physics, Vol. 125, Issue 11 https://doi.org/10.1063/1.5084945	journal	March 2019
Ferroelectric Memories Scott, J. F.; Paz de Araujo, C. A. Science, Vol. 246, Issue 4936 https://doi.org/10.1126/science.246.4936.1400	journal	December 1989
Enhancement of Piezoelectric Response in Scandium Aluminum Nitride Alloy Thin Films Prepared by Dual Reactive Cosputtering Akiyama, Morito; Kamohara, Toshihiro; Kano, Kazuhiko Advanced Materials, Vol. 21, Issue 5 https://doi.org/10.1002/adma.200802611	journal	December 2008
Lithography for robust and editable atomic-scale silicon devices and memories Achal, Roshan; Rashidi, Mohammad; Croshaw, Jeremiah Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-05171-y	journal	July 2018
Learning surface molecular structures via machine vision Ziatdinov, Maxim; Maksov, Artem; Kalinin, Sergei V. npj Computational Materials, Vol. 3, Issue 1 https://doi.org/10.1038/s41524-017-0038-7	journal	August 2017
Suppressed polar distortion with enhanced Curie temperature in in-plane 90°-domain structure of a -axis oriented PbTiO ₃ Film Morioka, Hitoshi; Yamada, Tomoaki; Tagantsev, Alexander K. Applied Physics Letters, Vol. 106, Issue 4 https://doi.org/10.1063/1.4906861	journal	January 2015
Interfacial ferroelectricity in marginally twisted 2D semiconductors Weston, Astrid; Castanon, Eli G.; Enaldiev, Vladimir Nature Nanotechnology, Vol. 17, Issue 4 https://doi.org/10.1038/s41565-022-01072-w	journal	February 2022
Domain-wall conduction in ferroelectric BiFeO3 controlled by accumulation of charged defects Rojac, Tadej; Bencan, Andreja; Drazic, Goran Nature Materials, Vol. 16, Issue 3 https://doi.org/10.1038/nmat4799	journal	November 2016
MCMC Using Hamiltonian Dynamics Neal, Radford; Brooks, Steve; Gelman, Andrew Handbook of Markov Chain Monte Carlo https://doi.org/10.1201/b10905-6	book	May 2011
Dynamic Conductivity of Ferroelectric Domain Walls in BiFeO ₃ Maksymovych, Peter; Seidel, Jan; Chu, Ying Hao Nano Letters, Vol. 11, Issue 5 https://doi.org/10.1021/nl104363x	journal	May 2011
Rapid multidimensional data acquisition in scanning probe microscopy applied to local polarization dynamics and voltage dependent contact mechanics Jesse, Stephen; Maksymovych, Peter; Kalinin, Sergei V. Applied Physics Letters, Vol. 93, Issue 11 https://doi.org/10.1063/1.2980031	journal	September 2008
Ferroelastic domain wall dynamics in ferroelectric bilayers Anbusathaiah, V.; Jesse, S.; Arredondo, M. A. Acta Materialia, Vol. 58, Issue 16 https://doi.org/10.1016/j.actamat.2010.06.004	journal	September 2010
Conductivity of twin-domain-wall/surface junctions in ferroelastics: Interplay of deformation potential, octahedral rotations, improper ferroelectricity, and flexoelectric coupling Eliseev, Eugene A.; Morozovska, Anna N.; Gu, Yijia Physical Review B, Vol. 86, Issue 8 https://doi.org/10.1103/PhysRevB.86.085416	journal	August 2012
Piezoelectric Thin Films for Sensors, Actuators, and Energy Harvesting Muralt, P.; Polcawich, R. G.; Trolier-McKinstry, S. MRS Bulletin, Vol. 34, Issue 9 https://doi.org/10.1557/mrs2009.177	journal	September 2009
Nanoscale Visualization and Control of Ferroelectric Domains by Atomic Force Microscopy Kolosov, Oleg; Gruverman, Alexei; Hatano, Jun Physical Review Letters, Vol. 74, Issue 21 https://doi.org/10.1103/PhysRevLett.74.4309	journal	May 1995
Electromechanical Imaging and Spectroscopy of Ferroelectric and Piezoelectric Materials: State of the Art and Prospects for the Future Balke, Nina; Bdikin, Igor; Kalinin, Sergei V. Journal of the American Ceramic Society, Vol. 92, Issue 8 https://doi.org/10.1111/j.1551-2916.2009.03240.x	journal	August 2009
Quantitative mapping of switching behavior in piezoresponse force microscopy Jesse, Stephen; Lee, Ho Nyung; Kalinin, Sergei V. Review of Scientific Instruments, Vol. 77, Issue 7 https://doi.org/10.1063/1.2214699	journal	July 2006
Spectroscopic imaging in piezoresponse force microscopy: New opportunities for studying polarization dynamics in ferroelectrics and multiferroics Vasudevan, R. K.; Jesse, S.; Kim, Y. MRS Communications, Vol. 2, Issue 3 https://doi.org/10.1557/mrc.2012.15	journal	July 2012
Nanoscale ferroelectrics: processing, characterization and future trends Gruverman, A.; Kholkin, A. Reports on Progress in Physics, Vol. 69, Issue 8 https://doi.org/10.1088/0034-4885/69/8/R04	journal	July 2006
Variable generalization performance of a deep learning model to detect pneumonia in chest radiographs: A cross-sectional study Zech, John R.; Badgeley, Marcus A.; Liu, Manway PLOS Medicine, Vol. 15, Issue 11 https://doi.org/10.1371/journal.pmed.1002683	journal	November 2018
Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl3 Ziatdinov, M.; Banerjee, A.; Maksov, A. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13774	journal	December 2016
Polarization relaxation kinetics and 180° domain wall dynamics in ferroelectric thin films Ganpule, C. S.; Roytburd, A. L.; Nagarajan, V. Physical Review B, Vol. 65, Issue 1 https://doi.org/10.1103/PhysRevB.65.014101	journal	November 2001
Unconventional ferroelectricity in moiré heterostructures Zheng, Zhiren; Ma, Qiong; Bi, Zhen Nature, Vol. 588, Issue 7836 https://doi.org/10.1038/s41586-020-2970-9	journal	November 2020
Wake-up and fatigue mechanisms in ferroelectric Hf _0.5 Zr _0.5 O ₂ films with symmetric RuO ₂ electrodes Fields, Shelby S.; Smith, Sean W.; Jaszewski, Samantha T. Journal of Applied Physics, Vol. 130, Issue 13 https://doi.org/10.1063/5.0064145	journal	October 2021
Experimental discovery of structure–property relationships in ferroelectric materials via active learning Liu, Yongtao; Kelley, Kyle P.; Vasudevan, Rama K. Nature Machine Intelligence, Vol. 4, Issue 4 https://doi.org/10.1038/s42256-022-00460-0	journal	April 2022
Role of 90° domains in lead zirconate titanate thin films Ganpule, C. S.; Nagarajan, V.; Li, H. Applied Physics Letters, Vol. 77, Issue 2 https://doi.org/10.1063/1.126954	journal	July 2000

Similar Records

Three-State Ferroelastic Switching and Large Electromechanical Responses in PbTiO ₃ Thin Films

Journal Article · Mon Jul 31 00:00:00 EDT 2017 · Advanced Materials · OSTI ID:1885605

Damodaran, Anoop R.; Pandya, Shishir; Agar, Josh C.; +14 more

Autonomous Experiments in Scanning Probe Microscopy and Spectroscopy: Choosing Where to Explore Polarization Dynamics in Ferroelectrics

Journal Article · Tue Jul 06 00:00:00 EDT 2021 · ACS Nano · OSTI ID:1885605

Vasudevan, Rama K.; Kelley, Kyle P.; Hinkle, Jacob; +4 more

Structure and Dynamics of Domains in Ferroelectric Nanostructures – Phase-Field Modeling (Final Technical Report)

Technical Report · Mon Jun 15 00:00:00 EDT 2020 · OSTI ID:1885605

Chen, Long-Qing; Cheng, Xiao-Xing; Zorn, Jacob

Related Subjects

36 MATERIALS SCIENCE
automated experiments
deep convolutional neural network
ferroelastic domain walls
piezoresponse force microscopy

Title: Exploring Physics of Ferroelectric Domain Walls in Real Time: Deep Learning Enabled Scanning Probe Microscopy

Citation Formats

References (58)

Similar Records

Related Subjects