Bayesian inference in band excitation scanning probe microscopy for optimal dynamic model selection in imaging
Abstract
The universal tendency in scanning probe microscopy (SPM) over the last two decades is to transition from simple 2D imaging to complex detection and spectroscopic imaging modes. The emergence of complex SPM engines brings forth the challenge of reliable data interpretation, i.e., conversion from detected signals to descriptors specific to tip–surface interactions and subsequently to material’s properties. In this work, we implemented a Bayesian inference approach for the analysis of the image formation mechanisms in band excitation SPM. Compared to the point estimates in classical functional fit approaches, Bayesian inference allows for the incorporation of extant knowledge of materials and probe behavior in the form of corresponding prior distribution and return the information on the material functionality in the form of readily interpretable posterior distributions. We explore the nonlinear mechanical behaviors spatially in a classical ferroelectric material, PbTiO3. We observe the non-trivial evolution of the Duffing stiffness term and the nonlinearity of the sample surface, determine spatial clustering of the nonlinear response, and perform a Landau analysis on predicting the nonlinear coefficient, which indicates that ferroelectric behavior can be a cause of the observed results. These observations suggest that the spectrum of anomalous behaviors at the ferroelectric domain walls maymore »
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
- National Academy of Sciences of Ukraine, Kyiv (Ukraine). Inst. for Problems of Materials Science
- Tokyo Inst. of Technology, Yokohama (Japan)
- National Academy of Sciences of Ukraine, Kyiv (Ukraine). Inst. of Physics
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division
- OSTI Identifier:
- 1649334
- Alternate Identifier(s):
- OSTI ID: 1646708
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 128; Journal Issue: 5; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Machine learning for materials design and discovery; Ferroelectric materials; Bayesian inference; Scanning probe microscopy; Atomic force microscopy; Dielectric properties; Spectroscopy
Citation Formats
Vasudevan, Rama K., Kelley, Kyle P., Eliseev, Eugene A., Jesse, Stephen, Funakubo, Hiroshi, Morozovska, Anna N., and Kalinin, Sergei V. Bayesian inference in band excitation scanning probe microscopy for optimal dynamic model selection in imaging. United States: N. p., 2020.
Web. doi:10.1063/5.0005323.
Vasudevan, Rama K., Kelley, Kyle P., Eliseev, Eugene A., Jesse, Stephen, Funakubo, Hiroshi, Morozovska, Anna N., & Kalinin, Sergei V. Bayesian inference in band excitation scanning probe microscopy for optimal dynamic model selection in imaging. United States. https://doi.org/10.1063/5.0005323
Vasudevan, Rama K., Kelley, Kyle P., Eliseev, Eugene A., Jesse, Stephen, Funakubo, Hiroshi, Morozovska, Anna N., and Kalinin, Sergei V. Fri .
"Bayesian inference in band excitation scanning probe microscopy for optimal dynamic model selection in imaging". United States. https://doi.org/10.1063/5.0005323. https://www.osti.gov/servlets/purl/1649334.
@article{osti_1649334,
title = {Bayesian inference in band excitation scanning probe microscopy for optimal dynamic model selection in imaging},
author = {Vasudevan, Rama K. and Kelley, Kyle P. and Eliseev, Eugene A. and Jesse, Stephen and Funakubo, Hiroshi and Morozovska, Anna N. and Kalinin, Sergei V.},
abstractNote = {The universal tendency in scanning probe microscopy (SPM) over the last two decades is to transition from simple 2D imaging to complex detection and spectroscopic imaging modes. The emergence of complex SPM engines brings forth the challenge of reliable data interpretation, i.e., conversion from detected signals to descriptors specific to tip–surface interactions and subsequently to material’s properties. In this work, we implemented a Bayesian inference approach for the analysis of the image formation mechanisms in band excitation SPM. Compared to the point estimates in classical functional fit approaches, Bayesian inference allows for the incorporation of extant knowledge of materials and probe behavior in the form of corresponding prior distribution and return the information on the material functionality in the form of readily interpretable posterior distributions. We explore the nonlinear mechanical behaviors spatially in a classical ferroelectric material, PbTiO3. We observe the non-trivial evolution of the Duffing stiffness term and the nonlinearity of the sample surface, determine spatial clustering of the nonlinear response, and perform a Landau analysis on predicting the nonlinear coefficient, which indicates that ferroelectric behavior can be a cause of the observed results. These observations suggest that the spectrum of anomalous behaviors at the ferroelectric domain walls may be broader than previously believed and can extend to non-conventional mechanical properties in addition to static and microwave conductance.},
doi = {10.1063/5.0005323},
journal = {Journal of Applied Physics},
number = 5,
volume = 128,
place = {United States},
year = {Fri Aug 07 00:00:00 EDT 2020},
month = {Fri Aug 07 00:00:00 EDT 2020}
}
Web of Science
Works referenced in this record:
Kelvin probe force microscopy for characterization of semiconductor devices and processes
journal, March 1996
- Tanimoto, Masafumi
- Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 14, Issue 2
Dynamic piezoresponse force microscopy: Spatially resolved probing of polarization dynamics in time and voltage domains
journal, September 2012
- Kumar, A.; Ehara, Y.; Wada, A.
- Journal of Applied Physics, Vol. 112, Issue 5
Intermodulation atomic force microscopy
journal, April 2008
- Platz, Daniel; Tholén, Erik A.; Pesen, Devrim
- Applied Physics Letters, Vol. 92, Issue 15
Confinement of Electrons to Quantum Corrals on a Metal Surface
journal, October 1993
- Crommie, M. F.; Lutz, C. P.; Eigler, D. M.
- Science, Vol. 262, Issue 5131
Electronic transport in planar atomic-scale structures measured by two-probe scanning tunneling spectroscopy
journal, April 2019
- Kolmer, Marek; Brandimarte, Pedro; Lis, Jakub
- Nature Communications, Vol. 10, Issue 1
Numerical simulations of jump phenomena in stable Duffing systems
journal, January 1987
- Fang, T.; Dowell, E. H.
- International Journal of Non-Linear Mechanics, Vol. 22, Issue 3
Acoustic microscopy by atomic force microscopy
journal, March 1994
- Rabe, U.; Arnold, W.
- Applied Physics Letters, Vol. 64, Issue 12
Current imaging tunneling spectroscopy of metallic deposits on silicon
journal, July 1992
- Asenjo, A.; Gómez-Rodríguez, J. M.; Baró, A. M.
- Ultramicroscopy, Vol. 42-44
Magnetic imaging by ‘‘force microscopy’’ with 1000 Å resolution
journal, May 1987
- Martin, Y.; Wickramasinghe, H. K.
- Applied Physics Letters, Vol. 50, Issue 20
Chaos in the quasiperiodically forced duffing oscillator
journal, September 1987
- Wiggins, Stephen
- Physics Letters A, Vol. 124, Issue 3
Conduction of Topologically Protected Charged Ferroelectric Domain Walls
journal, February 2012
- Wu, Weida; Horibe, Y.; Lee, N.
- Physical Review Letters, Vol. 108, Issue 7
Big, Deep, and Smart Data in Scanning Probe Microscopy
journal, September 2016
- Kalinin, Sergei V.; Strelcov, Evgheni; Belianinov, Alex
- ACS Nano, Vol. 10, Issue 10
7 × 7 Reconstruction on Si(111) Resolved in Real Space
journal, January 1983
- Binnig, G.; Rohrer, H.; Gerber, Ch.
- Physical Review Letters, Vol. 50, Issue 2
Using Stacking to Average Bayesian Predictive Distributions (with Discussion)
journal, September 2018
- Yao, Yuling; Vehtari, Aki; Simpson, Daniel
- Bayesian Analysis, Vol. 13, Issue 3
Nanoscale Origins of Nonlinear Behavior in Ferroic Thin Films
journal, August 2012
- Vasudevan, Rama K.; Okatan, M. Baris; Duan, Chen
- Advanced Functional Materials, Vol. 23, Issue 1
Kelvin probe force microscopy
journal, June 1991
- Nonnenmacher, M.; O’Boyle, M. P.; Wickramasinghe, H. K.
- Applied Physics Letters, Vol. 58, Issue 25
Ultrafast terahertz control of extreme tunnel currents through single atoms on a silicon surface
journal, February 2017
- Jelic, Vedran; Iwaszczuk, Krzysztof; Nguyen, Peter H.
- Nature Physics, Vol. 13, Issue 6
Electrical Scanning Probe Microscopy on Active Organic Electronic Devices
journal, January 2009
- Pingree, Liam S. C.; Reid, Obadiah G.; Ginger, David S.
- Advanced Materials, Vol. 21, Issue 1, p. 19-28
Cell mechanics as a marker for diseases: Biomedical applications of AFM
conference, January 2016
- Rianna, Carmela; Radmacher, Manfred
- PHYSICS OF CANCER: INTERDISCIPLINARY PROBLEMS AND CLINICAL APPLICATIONS (PC’16): Proceedings of the International Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016, AIP Conference Proceedings
Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy
journal, June 2015
- Stetsovych, Oleksandr; Todorović, Milica; Shimizu, Tomoko K.
- Nature Communications, Vol. 6, Issue 1
Understanding predictive information criteria for Bayesian models
journal, August 2013
- Gelman, Andrew; Hwang, Jessica; Vehtari, Aki
- Statistics and Computing, Vol. 24, Issue 6
Bioelectromechanical imaging by scanning probe microscopy: Galvani's experiment at the nanoscale
journal, March 2006
- Kalinin, Sergei V.; Rodriguez, B. J.; Shin, J.
- Ultramicroscopy, Vol. 106, Issue 4-5
The Levenberg-Marquardt algorithm: Implementation and theory
book, January 1978
- Moré, Jorge J.; Watson, G. A.
- Numerical Analysis, Vol. 630, p. 105-116
New SPM techniques for analyzing OPV materials
journal, September 2010
- Giridharagopal, Rajiv; Shao, Guozheng; Groves, Chris
- Materials Today, Vol. 13, Issue 9, p. 50-56
Mapping piezoelectric nonlinearity in the Rayleigh regime using band excitation piezoresponse force microscopy
journal, May 2011
- Griggio, F.; Jesse, S.; Kumar, A.
- Applied Physics Letters, Vol. 98, Issue 21
Domain wall conduction in multiaxial ferroelectrics
journal, January 2012
- Eliseev, Eugene A.; Morozovska, Anna N.; Svechnikov, George S.
- Physical Review B, Vol. 85, Issue 4
The electronic properties of graphene
journal, January 2009
- Castro Neto, A. H.; Guinea, F.; Peres, N. M. R.
- Reviews of Modern Physics, Vol. 81, Issue 1, p. 109-162
Positioning single atoms with a scanning tunnelling microscope
journal, April 1990
- Eigler, D. M.; Schweizer, E. K.
- Nature, Vol. 344, Issue 6266
Phase diagrams and physical properties of single-domain epitaxial thin films
journal, February 2003
- Pertsev, N. A.; Kukhar, V. G.; Kohlstedt, H.
- Physical Review B, Vol. 67, Issue 5
Reversible Unfolding of Individual Titin Immunoglobulin Domains by AFM
journal, May 1997
- Rief, M.
- Science, Vol. 276, Issue 5315
Atomic-Scale Distribution of Water Molecules at the Mica-Water Interface Visualized by Three-Dimensional Scanning Force Microscopy
journal, January 2010
- Fukuma, Takeshi; Ueda, Yasumasa; Yoshioka, Shunsuke
- Physical Review Letters, Vol. 104, Issue 1
The band excitation method in scanning probe microscopy for rapid mapping of energy dissipation on the nanoscale
journal, September 2007
- Jesse, Stephen; Kalinin, Sergei V.; Proksch, Roger
- Nanotechnology, Vol. 18, Issue 43
Crystalline and oxide phases revealed and formed on InSb(111)B
journal, September 2018
- Mäkelä, Jaakko; Jahanshah Rad, Zahra Sadat; Lehtiö, Juha-Pekka
- Scientific Reports, Vol. 8, Issue 1
Atomic force microscopy as a tool for assessing the cellular elasticity and adhesiveness to identify cancer cells and tissues
journal, January 2018
- Zemła, Joanna; Danilkiewicz, Joanna; Orzechowska, Barbara
- Seminars in Cell & Developmental Biology, Vol. 73
The Chemical Structure of a Molecule Resolved by Atomic Force Microscopy
journal, August 2009
- Gross, L.; Mohn, F.; Moll, N.
- Science, Vol. 325, Issue 5944
Nanomechanical mapping with resonance tracking scanned probe microscope
journal, November 2007
- Kos, A. B.; Hurley, D. C.
- Measurement Science and Technology, Vol. 19, Issue 1
Band excitation in scanning probe microscopy: sines of change
journal, November 2011
- Jesse, Stephen; Kalinin, Sergei V.
- Journal of Physics D: Applied Physics, Vol. 44, Issue 46
How the doors to the nanoworld were opened
journal, October 2006
- Gerber, Christoph; Lang, Hans Peter
- Nature Nanotechnology, Vol. 1, Issue 1
Peltier cooling in molecular junctions
journal, December 2017
- Cui, Longji; Miao, Ruijiao; Wang, Kun
- Nature Nanotechnology, Vol. 13, Issue 2
Field enhancement of electronic conductance at ferroelectric domain walls
journal, November 2017
- Vasudevan, Rama K.; Cao, Ye; Laanait, Nouamane
- Nature Communications, Vol. 8, Issue 1
Disappearance of the Kondo resonance for atomically fabricated cobalt dimers
journal, September 1999
- Chen, W.; Jamneala, T.; Madhavan, V.
- Physical Review B, Vol. 60, Issue 12
Tunable giant magnetoresistance in a single-molecule junction
journal, August 2019
- Yang, Kai; Chen, Hui; Pope, Thomas
- Nature Communications, Vol. 10, Issue 1
Investigation of Surface Potential of Ferroelectric Organic Molecules by Scanning Probe Microscopy
journal, June 1999
- Chen, Xinqi; Yamada, Hirofumi; Horiuchi, Toshihisa
- Japanese Journal of Applied Physics, Vol. 38, Issue Part 1, No. 6B
Suppressed polar distortion with enhanced Curie temperature in in-plane 90°-domain structure of a -axis oriented PbTiO 3 Film
journal, January 2015
- Morioka, Hitoshi; Yamada, Tomoaki; Tagantsev, Alexander K.
- Applied Physics Letters, Vol. 106, Issue 4
G-mode magnetic force microscopy: Separating magnetic and electrostatic interactions using big data analytics
journal, May 2016
- Collins, Liam; Belianinov, Alex; Proksch, Roger
- Applied Physics Letters, Vol. 108, Issue 19
Scanning probe microscopy for advanced nanoelectronics
journal, June 2019
- Hui, Fei; Lanza, Mario
- Nature Electronics, Vol. 2, Issue 6
A kilobyte rewritable atomic memory
journal, July 2016
- Kalff, F. E.; Rebergen, M. P.; Fahrenfort, E.
- Nature Nanotechnology, Vol. 11, Issue 11
Selective control of multiple ferroelectric switching pathways using a trailing flexoelectric field
journal, March 2018
- Park, Sung Min; Wang, Bo; Das, Saikat
- Nature Nanotechnology, Vol. 13, Issue 5
Frequency modulation detection using high‐ Q cantilevers for enhanced force microscope sensitivity
journal, January 1991
- Albrecht, T. R.; Grütter, P.; Horne, D.
- Journal of Applied Physics, Vol. 69, Issue 2
Magnetic dissipation force microscopy
journal, July 1997
- Grütter, P.; Liu, Y.; LeBlanc, P.
- Applied Physics Letters, Vol. 71, Issue 2
Dynamic Conductivity of Ferroelectric Domain Walls in BiFeO 3
journal, May 2011
- Maksymovych, Peter; Seidel, Jan; Chu, Ying Hao
- Nano Letters, Vol. 11, Issue 5
Full information acquisition in piezoresponse force microscopy
journal, December 2015
- Somnath, Suhas; Belianinov, Alexei; Kalinin, Sergei V.
- Applied Physics Letters, Vol. 107, Issue 26
High-speed force sensor for force microscopy and profilometry utilizing a quartz tuning fork
journal, December 1998
- Giessibl, Franz J.
- Applied Physics Letters, Vol. 73, Issue 26
Band Excitation in Scanning Probe Microscopy: Recognition and Functional Imaging
journal, April 2014
- Jesse, S.; Vasudevan, R. K.; Collins, L.
- Annual Review of Physical Chemistry, Vol. 65, Issue 1
Ultra-high resolution imaging of thin films and single strands of polythiophene using atomic force microscopy
journal, April 2019
- Korolkov, Vladimir V.; Summerfield, Alex; Murphy, Alanna
- Nature Communications, Vol. 10, Issue 1
Decoupling Electrochemical Reaction and Diffusion Processes in Ionically-Conductive Solids on the Nanometer Scale
journal, November 2010
- Balke, Nina; Jesse, Stephen; Kim, Yoongu
- ACS Nano, Vol. 4, Issue 12
Electromechanical Imaging and Spectroscopy of Ferroelectric and Piezoelectric Materials: State of the Art and Prospects for the Future
journal, August 2009
- Balke, Nina; Bdikin, Igor; Kalinin, Sergei V.
- Journal of the American Ceramic Society, Vol. 92, Issue 8
CO 2 Adsorption, Diffusion, and Electron-Induced Chemistry on Rutile TiO 2 (110): A Low-Temperature Scanning Tunneling Microscopy Study
journal, May 2011
- Acharya, D. P.; Camillone, N.; Sutter, P.
- The Journal of Physical Chemistry C, Vol. 115, Issue 24
Thermodynamic theory of the lead zirconate-titanate solid solution system, part IV: Tilting of the oxygen octahedra
journal, November 1989
- Haun, M. J.; Furman, E.; Halemane, T. R.
- Ferroelectrics, Vol. 99, Issue 1
Nanoscale ferroelectrics: processing, characterization and future trends
journal, July 2006
- Gruverman, A.; Kholkin, A.
- Reports on Progress in Physics, Vol. 69, Issue 8
Probabilistic programming in Python using PyMC3
journal, January 2016
- Salvatier, John; Wiecki, Thomas V.; Fonnesbeck, Christopher
- PeerJ Computer Science, Vol. 2
Direct Imaging of the Relaxation of Individual Ferroelectric Interfaces in a Tensile-Strained Film
journal, March 2017
- Li, Linglong; Cao, Ye; Somnath, Suhas
- Advanced Electronic Materials, Vol. 3, Issue 4
Full data acquisition in Kelvin Probe Force Microscopy: Mapping dynamic electric phenomena in real space
journal, August 2016
- Collins, Liam; Belianinov, Alex; Somnath, Suhas
- Scientific Reports, Vol. 6, Issue 1
Cold-atom scanning probe microscopy
journal, May 2011
- Gierling, M.; Schneeweiss, P.; Visanescu, G.
- Nature Nanotechnology, Vol. 6, Issue 7
Order-disorder phase transition of the Cu(001) surface under equilibrium oxygen pressure
journal, December 2007
- Iddir, H.; Fong, D. D.; Zapol, P.
- Physical Review B, Vol. 76, Issue 24
Organic structure determination using atomic-resolution scanning probe microscopy
journal, August 2010
- Gross, Leo; Mohn, Fabian; Moll, Nikolaj
- Nature Chemistry, Vol. 2, Issue 10