Melting of spatially modulated phases at domain wall/surface junctions in antiferrodistortive multiferroics
Abstract
A physical understanding of the nature of spatially modulated phases (SMPs) in rare-earth-doped antiferrodistortive (AFD) multiferroics and how they behave close to surfaces and interfaces is lacking. Here the emergence of the antiferroelectric (AFE), ferroelectric (FE), or ferrielectric (AFE-FE) spatial modulation in the vicinity of the morphotropic phase transition in ( ) is explored on the atomic level using high-resolution scanning transmission electron microscopy (HRSTEM). The suppression, or “melting,” of the AFE-type SMP in the vicinity of the AFD twin wall/surface junction is revealed by HRSTEM in films and explained by the hybrid approach combining Landau-Ginzburg-Devonshire (LGD) phenomenology and the semimicroscopic four-sublattice model (FSM). The LGD-FSM approach reduces the problem of AFE (or AFE-FE) SMP emergence and stability to the thermodynamic analysis of the free-energy functional with AFE, FE, and AFD long-range order parameters and two master parameters: the FE-AFE coupling strength between four neighboring A sites and the nonstoichiometry factor, which are proportional to the variations of La concentration in films. Finally, we establish that the surface-induced melting of SMPs and the associated broadening of AFE AFD domain walls minimize the film free energy under certain conditions imposed on the master parameters and gradient energy below the critical value. The observed behavior provides insight into the origin of SMPs in AFD multiferroics.
- Authors:
-
[1];
[2];
[5];
[5]
- National Academy of Sciences of Ukraine, Kyiv (Ukraine). Inst. of Physics; Taras Shevchenko Kyiv National Univ. (Ukraine)
- National Academy of Sciences of Ukraine, Kyiv (Ukraine). Inst. of Physics
- South China Normal Univ., Guangzhou (China). Inst. for Advanced Materials, Guangdong Provincial Key Lab. of Optical Information Materials and Technology
- Taras Shevchenko Kyiv National Univ. (Ukraine)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
- 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); National Natural Science Foundation of China (NSFC); European Research Council (ERC)
- OSTI Identifier:
- 1842639
- Grant/Contract Number:
- AC05-00OR22725; U1832104; 11704130; 778070; 2017B030301007; 201906010016
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 102; Journal Issue: 7; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; electric polarization; ferroelectric domains; structural order parameter; thin films; finite-element method
Citation Formats
Morozovska, Anna N., Eliseev, Eugene A., Chen, Deyang, Shvetz, Vladislav, Nelson, Christopher T., and Kalinin, Sergei V. Melting of spatially modulated phases at domain wall/surface junctions in antiferrodistortive multiferroics. United States: N. p., 2020.
Web. doi:10.1103/physrevb.102.075426.
Morozovska, Anna N., Eliseev, Eugene A., Chen, Deyang, Shvetz, Vladislav, Nelson, Christopher T., & Kalinin, Sergei V. Melting of spatially modulated phases at domain wall/surface junctions in antiferrodistortive multiferroics. United States. https://doi.org/10.1103/physrevb.102.075426
Morozovska, Anna N., Eliseev, Eugene A., Chen, Deyang, Shvetz, Vladislav, Nelson, Christopher T., and Kalinin, Sergei V. Wed .
"Melting of spatially modulated phases at domain wall/surface junctions in antiferrodistortive multiferroics". United States. https://doi.org/10.1103/physrevb.102.075426. https://www.osti.gov/servlets/purl/1842639.
@article{osti_1842639,
title = {Melting of spatially modulated phases at domain wall/surface junctions in antiferrodistortive multiferroics},
author = {Morozovska, Anna N. and Eliseev, Eugene A. and Chen, Deyang and Shvetz, Vladislav and Nelson, Christopher T. and Kalinin, Sergei V.},
abstractNote = {A physical understanding of the nature of spatially modulated phases (SMPs) in rare-earth-doped antiferrodistortive (AFD) multiferroics and how they behave close to surfaces and interfaces is lacking. Here the emergence of the antiferroelectric (AFE), ferroelectric (FE), or ferrielectric (AFE-FE) spatial modulation in the vicinity of the morphotropic phase transition in LaxBi1–xFeO3 (x~0.2) is explored on the atomic level using high-resolution scanning transmission electron microscopy (HRSTEM). The suppression, or “melting,” of the AFE-type SMP in the vicinity of the AFD twin wall/surface junction is revealed by HRSTEM in La0.22Bi0.78FeO3 films and explained by the hybrid approach combining Landau-Ginzburg-Devonshire (LGD) phenomenology and the semimicroscopic four-sublattice model (FSM). The LGD-FSM approach reduces the problem of AFE (or AFE-FE) SMP emergence and stability to the thermodynamic analysis of the free-energy functional with AFE, FE, and AFD long-range order parameters and two master parameters: the FE-AFE coupling strength between four neighboring A sites and the nonstoichiometry factor, which are proportional to the variations of La concentration in LaxBi1–xFeO3 films. Finally, we establish that the surface-induced melting of SMPs and the associated broadening of AFE AFD domain walls minimize the film free energy under certain conditions imposed on the master parameters and gradient energy below the critical value. The observed behavior provides insight into the origin of SMPs in AFD multiferroics.},
doi = {10.1103/physrevb.102.075426},
journal = {Physical Review B},
number = 7,
volume = 102,
place = {United States},
year = {Wed Aug 12 00:00:00 EDT 2020},
month = {Wed Aug 12 00:00:00 EDT 2020}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Thermodynamic potential and phase diagram for multiferroic bismuth ferrite (BiFeO 3 )
journal, May 2017
- Karpinsky, Dmitry V.; Eliseev, Eugene A.; Xue, Fei
- npj Computational Materials, Vol. 3, Issue 1
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
Mapping gradient-driven morphological phase transition at the conductive domain walls of strained multiferroic films
journal, September 2019
- Han, M. J.; Eliseev, E. A.; Morozovska, A. N.
- Physical Review B, Vol. 100, Issue 10
A thermodynamic theory of “weak” ferromagnetism of antiferromagnetics
journal, January 1958
- Dzyaloshinsky, I.
- Journal of Physics and Chemistry of Solids, Vol. 4, Issue 4
Equilibrium and stability of polarization in ultrathin ferroelectric films with ionic surface compensation
journal, August 2011
- Stephenson, G. Brian; Highland, Matthew J.
- Physical Review B, Vol. 84, Issue 6
Upper bounds for flexoelectric coefficients in ferroelectrics
journal, February 2014
- Yudin, P. V.; Ahluwalia, R.; Tagantsev, A. K.
- Applied Physics Letters, Vol. 104, Issue 8
Tracking the ultrafast motion of an antiferromagnetic order parameter
journal, September 2019
- Tzschaschel, Christian; Satoh, Takuya; Fiebig, Manfred
- Nature Communications, Vol. 10, Issue 1
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
Interface control of a morphotropic phase boundary in epitaxial samarium modified bismuth ferrite superlattices
journal, December 2014
- Maran, Ronald; Yasui, Shintaro; Eliseev, Eugene A.
- Physical Review B, Vol. 90, Issue 24
Defect-driven flexochemical coupling in thin ferroelectric films
journal, January 2018
- Eliseev, Eugene A.; Vorotiahin, Ivan S.; Fomichov, Yevhen M.
- Physical Review B, Vol. 97, Issue 2
The evolution of multiferroics
journal, July 2016
- Fiebig, Manfred; Lottermoser, Thomas; Meier, Dennis
- Nature Reviews Materials, Vol. 1, Issue 8
Direct observation of ferroelectric domain switching in varying electric field regimes using in situ TEM
journal, November 2012
- Winkler, C. R.; Damodaran, A. R.; Karthik, J.
- Micron, Vol. 43, Issue 11
Conduction at domain walls in oxide multiferroics
journal, January 2009
- Seidel, J.; Martin, L. W.; He, Q.
- Nature Materials, Vol. 8, Issue 3
Rotomagnetic coupling in fine-grained multiferroic : Theory and experiment
journal, April 2018
- Morozovska, Anna N.; Eliseev, Eugene A.; Glinchuk, Maya D.
- Physical Review B, Vol. 97, Issue 13
phase and metal-insulator transition in multiferroic
journal, January 2008
- Palai, R.; Katiyar, R. S.; Schmid, H.
- Physical Review B, Vol. 77, Issue 1
The β-to-γ Transition in BiFeO3: A Powder Neutron Diffraction Study
journal, June 2010
- Arnold, Donna C.; Knight, Kevin S.; Catalan, Gustau
- Advanced Functional Materials, Vol. 20, Issue 13
Control of polarization reversal temperature behavior by surface screening in thin ferroelectric films
journal, November 2018
- Morozovska, Anna N.; Eliseev, Eugene A.; Vorotiahin, Ivan S.
- Acta Materialia, Vol. 160
Ultrathin limit and dead-layer effects in local polarization switching of BiFeO
journal, January 2012
- Maksymovych, Peter; Huijben, Mark; Pan, Minghu
- Physical Review B, Vol. 85, Issue 1
Anisotropic conductivity of uncharged domain walls in BiFeO
journal, August 2012
- Morozovska, Anna N.; Vasudevan, Rama K.; Maksymovych, Peter
- Physical Review B, Vol. 86, Issue 8
Magnetoelectricity goes local: From bulk multiferroic crystals to ferroelectricity localized on magnetic topological textures
journal, August 2018
- Pyatakov, A. P.
- Physica B: Condensed Matter, Vol. 542
Domain Wall Conduction and Polarization-Mediated Transport in Ferroelectrics
journal, April 2013
- Vasudevan, Rama K.; Wu, Weida; Guest, Jeffrey R.
- Advanced Functional Materials, Vol. 23, Issue 20
Crystal chemistry and domain structure of rare-earth doped BiFeO3 ceramics
journal, October 2009
- Karimi, S.; Reaney, I. M.; Han, Y.
- Journal of Materials Science, Vol. 44, Issue 19
Revival of the magnetoelectric effect
journal, April 2005
- Fiebig, Manfred
- Journal of Physics D: Applied Physics, Vol. 38, Issue 8
Building a free-energy functional from atomically resolved imaging: Atomic-scale phenomena in La-doped
journal, May 2019
- Morozovska, Anna N.; Eliseev, Eugene A.; Chen, Deyang
- Physical Review B, Vol. 99, Issue 19
Enhanced electric conductivity at ferroelectric vortex cores in BiFeO3
journal, November 2011
- Balke, Nina; Winchester, Benjamin; Ren, Wei
- Nature Physics, Vol. 8, Issue 1
Magnetotransport at Domain Walls in
journal, February 2012
- He, Q.; Yeh, C. -H.; Yang, J. -C.
- Physical Review Letters, Vol. 108, Issue 6
Atomic mapping of structural distortions in 109° domain patterned BiFeO 3 thin films
journal, June 2017
- Wang, Wen-Yuan; Zhu, Yin-Lian; Tang, Yun-Long
- Journal of Materials Research, Vol. 32, Issue 12
Epitaxial BiFeO3 Multiferroic Thin Film Heterostructures
journal, March 2003
- Wang, J.; Neaton, J. B.; Zheng, H.
- Science, Vol. 299, Issue 5613, p. 1719-1722
Domain Dynamics During Ferroelectric Switching
journal, November 2011
- Nelson, C. T.; Gao, P.; Jokisaari, J. R.
- Science, Vol. 334, Issue 6058
Vortex ferroelectric domains
journal, August 2008
- Gruverman, A.; Wu, D.; Fan, H-J
- Journal of Physics: Condensed Matter, Vol. 20, Issue 34
Large scale arrays of four-state vortex domains in BiFeO 3 thin film
journal, November 2016
- Wang, W. Y.; Zhu, Y. L.; Tang, Y. L.
- Applied Physics Letters, Vol. 109, Issue 20
MATERIALS SCIENCE: The Renaissance of Magnetoelectric Multiferroics
journal, July 2005
- Spaldin, N. A.
- Science, Vol. 309, Issue 5733
Domain Wall Geometry Controls Conduction in Ferroelectrics
journal, September 2012
- Vasudevan, R. K.; Morozovska, A. N.; Eliseev, E. A.
- Nano Letters, Vol. 12, Issue 11
Functional Ferroic Domain Walls for Nanoelectronics
journal, September 2019
- Sharma, Pankaj; Schoenherr, Peggy; Seidel, Jan
- Materials, Vol. 12, Issue 18
A Strain-Driven Antiferroelectric-to-Ferroelectric Phase Transition in La-Doped BiFeO 3 Thin Films on Si
journal, August 2017
- Chen, Deyang; Nelson, Christopher T.; Zhu, Xiaohong
- Nano Letters, Vol. 17, Issue 9
Temperature dependence of the crystal and magnetic structures of BiFeO 3
journal, April 1980
- Fischer, P.; Polomska, M.; Sosnowska, I.
- Journal of Physics C: Solid State Physics, Vol. 13, Issue 10
Influence of elastic strain gradient on the upper limit of flexocoupling strength, spatially modulated phases, and soft phonon dispersion in ferroics
journal, November 2016
- Morozovska, Anna N.; Eliseev, Eugene A.; Scherbakov, Christian M.
- Physical Review B, Vol. 94, Issue 17
Ferroelectric Self-Poling, Switching, and Monoclinic Domain Configuration in BiFeO 3 Thin Films
journal, May 2016
- Beekman, C.; Siemons, W.; Chi, M.
- Advanced Functional Materials, Vol. 26, Issue 28
Coexistence of rhombohedral and orthorhombic phases in ultrathin BiFeO3 films driven by interfacial oxygen octahedral coupling
journal, February 2018
- Han, M. J.; Wang, Y. J.; Ma, D. S.
- Acta Materialia, Vol. 145
Probing Ferroelectric Domain Engineering in BiFeO 3 Thin Films by Second Harmonic Generation
journal, July 2015
- Trassin, Morgan; Luca, Gabriele De; Manz, Sebastian
- Advanced Materials, Vol. 27, Issue 33
Magnetoelectric and multiferroic media
journal, June 2012
- Pyatakov, Aleksandr P.; Zvezdin, Anatolii K.
- Physics-Uspekhi, Vol. 55, Issue 6
Observation of polar vortices in oxide superlattices
journal, January 2016
- Yadav, A. K.; Nelson, C. T.; Hsu, S. L.
- Nature, Vol. 530, Issue 7589
Domain walls in a perovskite oxide with two primary structural order parameters: First-principles study of BiFeO
journal, January 2013
- Diéguez, Oswaldo; Aguado-Puente, Pablo; Junquera, Javier
- Physical Review B, Vol. 87, Issue 2
Nanoscale Structural and Chemical Properties of Antipolar Clusters in Sm-Doped BiFeO 3 Ferroelectric Epitaxial Thin Films
journal, April 2010
- Cheng, Ching-Jung; Borisevich, Albina Y.; Kan, Daisuke
- Chemistry of Materials, Vol. 22, Issue 8
Nanoelectronics based on topological structures
journal, February 2019
- Seidel, Jan
- Nature Materials, Vol. 18, Issue 3
Surface effect on domain wall width in ferroelectrics
journal, October 2009
- Eliseev, Eugene A.; Morozovska, Anna N.; Kalinin, Sergei V.
- Journal of Applied Physics, Vol. 106, Issue 8
Interface-induced phenomena in polarization response of ferroelectric thin films
journal, September 2006
- Tagantsev, A. K.; Gerra, G.
- Journal of Applied Physics, Vol. 100, Issue 5
Effect of substrate-induced strains on the spontaneous polarization of epitaxial BiFeO3 thin films
journal, June 2007
- Zhang, J. X.; Li, Y. L.; Wang, Y.
- Journal of Applied Physics, Vol. 101, Issue 11
Functional electronic inversion layers at ferroelectric domain walls
journal, March 2017
- Mundy, J. A.; Schaab, J.; Kumagai, Y.
- Nature Materials, Vol. 16, Issue 6
Dielectric Constant in Perovskite Type Crystals
journal, April 1952
- Barrett, John H.
- Physical Review, Vol. 86, Issue 1
Domain wall nanoelectronics
journal, February 2012
- Catalan, G.; Seidel, J.; Ramesh, R.
- Reviews of Modern Physics, Vol. 84, Issue 1
Intrinsic structural instabilities of domain walls driven by gradient coupling: Meandering antiferrodistortive-ferroelectric domain walls in
journal, January 2019
- Eliseev, Eugene A.; Morozovska, Anna N.; Nelson, Christopher T.
- Physical Review B, Vol. 99, Issue 1
Atomic Level 1D Structural Modulations at the Negatively Charged Domain Walls in BiFeO 3 Films
journal, April 2015
- Wang, Wen-Yuan; Tang, Yun-Long; Zhu, Yin-Lian
- Advanced Materials Interfaces, Vol. 2, Issue 9
Surface States and Rectification at a Metal Semi-Conductor Contact
journal, May 1947
- Bardeen, John
- Physical Review, Vol. 71, Issue 10
Prediction of a low-temperature ferroelectric instability in antiphase domain boundaries of strontium titanate
journal, November 2001
- Tagantsev, Alexander K.; Courtens, Eric; Arzel, Ludovic
- Physical Review B, Vol. 64, Issue 22
Equilibrium Polarization of Ultrathin with Surface Compensation Controlled by Oxygen Partial Pressure
journal, October 2011
- Highland, M. J.; Fister, T. T.; Fong, D. D.
- Physical Review Letters, Vol. 107, Issue 18
Electric-field control of local ferromagnetism using a magnetoelectric multiferroic
journal, April 2008
- Chu, Ying-Hao; Martin, Lane W.; Holcomb, Mikel B.
- Nature Materials, Vol. 7, Issue 6, p. 478-482
Electroelastic fields in artificially created vortex cores in epitaxial BiFeO3 thin films
journal, August 2015
- Winchester, B.; Balke, N.; Cheng, X. X.
- Applied Physics Letters, Vol. 107, Issue 5
Universal Behavior and Electric-Field-Induced Structural Transition in Rare-Earth-Substituted BiFeO3
journal, March 2010
- Kan, Daisuke; Pálová, Lucia; Anbusathaiah, Varatharajan
- Advanced Functional Materials, Vol. 20, Issue 7
Elastic boundary conditions in the presence of the flexoelectric effect
journal, November 2011
- Yurkov, A. S.
- JETP Letters, Vol. 94, Issue 6
Surface-screening mechanisms in ferroelectric thin films and their effect on polarization dynamics and domain structures
journal, January 2018
- Kalinin, Sergei V.; Kim, Yunseok; Fong, Dillon D.
- Reports on Progress in Physics, Vol. 81, Issue 3
Universal emergence of spatially modulated structures induced by flexoantiferrodistortive coupling in multiferroics
journal, December 2013
- Eliseev, Eugene A.; Kalinin, Sergei V.; Gu, Yijia
- Physical Review B, Vol. 88, Issue 22