Bending-induced isostructural transitions in ultrathin layers of van der Waals ferrielectrics

Morozovska, Anna N.; Eliseev, Eugene A.; Liu, Yongtao; Kelley, Kyle P.; Ghosh, Ayana; Liu, Ying; Yao, Jinyuan; Morozovsky, Nicholas V.; Kholkin, Andrei L.; Vysochanskii, Yulian M.; Kalinin, Sergei V.

doi:10.1016/j.actamat.2023.119519

Bending-induced isostructural transitions in ultrathin layers of van der Waals ferrielectrics

Journal Article · Thu Nov 09 00:00:00 EST 2023 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2023.119519· OSTI ID:2282697

^[1]; ^[2]; ^[3]; ^[3]; ^[3]; Liu, Ying ^[4]; ^[4]; Morozovsky, Nicholas V. ^[2]; ^[5]; ^[6]; ^[7]

National Academy of Sciences of Ukraine, Kyiv (Ukraine); Penn State University
National Academy of Sciences of Ukraine, Kyiv (Ukraine)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Pennsylvania State University, University Park, PA (United States)
University of Aveiro (Portugal)
Uzhhorod University (Ukraine)
University of Tennessee, Knoxville, TN (United States)

Using Landau-Ginzburg-Devonshire (LGD) phenomenological approach we analyze the bending-induced re-distribution of electric polarization and field, elastic stresses and strains inside ultrathin layers of van der Waals ferrielectrics. We consider a CuInP2S6 (CIPS) thin layer with fixed edges and suspended central part, the bending of which is induced by external forces. The unique aspect of CIPS is the existence of two ferrielectric states, FI1 and FI2, corresponding to big and small polarization values, which arise due to the specific four-well potential of the eighth-order LGD functional. When the CIPS layer is flat, the single-domain FI1 state is stable in the central part of the layer, and the FI2 states are stable near the fixed edges. With an increase of the layer bending below the critical value, the sizes of the FI2 states near the fixed edges decreases, and the size of the FI1 region increases. When the bending exceeds the critical value, the edge FI2 states disappear being substituted by the FI1 state, but they appear abruptly near the inflection regions and expand as the bending increases. The bending-induced isostructural FI1-FI2 transition is specific for the bended van der Waals ferrielectrics described by the eighth (or higher) order LGD functional with consideration of linear and nonlinear electrostriction couplings. Furthermore, the isostructural transition, which is revealed in the vicinity of room temperature, can significantly reduce the coercive voltage of ferroelectric polarization reversal in CIPS nanoflakes, allowing for the curvature-engineering control of various flexible nanodevices.

View Accepted Manuscript (DOE)

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

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

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

OSTI ID:: 2282697

Alternate ID(s):: OSTI ID: 2455098
OSTI ID: 2212817

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 263; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (35)

Electrostatic Energy of Ferroelectrics with Nonhomogeneous Distributions of Polarization and Free Charges Marvan, M.; Fousek, J. physica status solidi (b), Vol. 208, Issue 2 https://doi.org/10.1002/(SICI)1521-3951(199808)208:2<523::AID-PSSB523>3.0.CO;2-T	journal	August 1998
Iso-Structural Phase Transitions in BiFeO3 Scott, James F. Advanced Materials, Vol. 22, Issue 19 https://doi.org/10.1002/adma.200904229	journal	March 2010
The Concept of Negative Capacitance in Ionically Conductive Van der Waals Ferroelectrics Neumayer, Sabine M.; Tao, Lei; O'Hara, Andrew Advanced Energy Materials, Vol. 10, Issue 39 https://doi.org/10.1002/aenm.202001726	journal	September 2020
Copper sublattice ordering in layered CuMP2Se6 (M=In, Cr) Bourdon, X.; Maisonneuve, V.; Cajipe, V. B. Journal of Alloys and Compounds, Vol. 283, Issue 1-2 https://doi.org/10.1016/S0925-8388(98)00899-8	journal	February 1999
Reducing Threshold of Ferroelectric Domain Switching in Ultrathin Two-Dimensional CuInP₂S₆ Ferroelectrics via Electrical–Mechanical Coupling Yang, Weijie; Chen, Shengjie; Ding, Xiangdong The Journal of Physical Chemistry Letters, Vol. 14, Issue 2 https://doi.org/10.1021/acs.jpclett.2c03628	journal	January 2023
Large-Scale Domain Engineering in Two-Dimensional Ferroelectric CuInP₂S₆ via Giant Flexoelectric Effect Chen, Chen; Liu, Heng; Lai, Qinglin Nano Letters, Vol. 22, Issue 8 https://doi.org/10.1021/acs.nanolett.2c00130	journal	April 2022
CuInP ₂ S ₆ Room Temperature Layered Ferroelectric Belianinov, A.; He, Q.; Dziaugys, A. Nano Letters, Vol. 15, Issue 6 https://doi.org/10.1021/acs.nanolett.5b00491	journal	May 2015
Piezoelectric domain walls in van der Waals antiferroelectric CuInP2Se6 Dziaugys, Andrius; Kelley, Kyle; Brehm, John A. Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-17137-0	journal	July 2020
Tunable quadruple-well ferroelectric van der Waals crystals Brehm, John A.; Neumayer, Sabine M.; Tao, Lei Nature Materials, Vol. 19, Issue 1 https://doi.org/10.1038/s41563-019-0532-z	journal	November 2019
Interface-induced phenomena in polarization response of ferroelectric thin films Tagantsev, A. K.; Gerra, G. Journal of Applied Physics, Vol. 100, Issue 5 https://doi.org/10.1063/1.2337009	journal	September 2006
Identification of passive layer in ferroelectric thin films from their switching parameters Tagantsev, A. K.; Landivar, M.; Colla, E. Journal of Applied Physics, Vol. 78, Issue 4 https://doi.org/10.1063/1.360122	journal	August 1995
Upper bounds for flexoelectric coefficients in ferroelectrics Yudin, P. V.; Ahluwalia, R.; Tagantsev, A. K. Applied Physics Letters, Vol. 104, Issue 8 https://doi.org/10.1063/1.4865208	journal	February 2014
Size-effect in layered ferrielectric CuInP2S6 Chyasnavichyus, Marius; Susner, Michael A.; Ievlev, Anton V. Applied Physics Letters, Vol. 109, Issue 17 https://doi.org/10.1063/1.4965837	journal	October 2016
The rise of 2D dielectrics/ferroelectrics Osada, Minoru; Sasaki, Takayoshi APL Materials, Vol. 7, Issue 12 https://doi.org/10.1063/1.5129447	journal	December 2019
Next generation ferroelectric materials for semiconductor process integration and their applications Mikolajick, T.; Slesazeck, S.; Mulaosmanovic, H. Journal of Applied Physics, Vol. 129, Issue 10 https://doi.org/10.1063/5.0037617	journal	March 2021
Non-linear dielectric response of layered CuInP ₂ S ₆ and Cu _0.9 Ag _0.1 InP ₂ S ₆ crystals Dziaugys, Andrius; Zamaraite, Ilona; Macutkevic, Jan Ferroelectrics, Vol. 569, Issue 1 https://doi.org/10.1080/00150193.2020.1822688	journal	December 2020
First-order phase transitions ind uced by a sin gle irreducible representation Toledano, Pierre; Pascoli, Gianni Ferroelectrics, Vol. 25, Issue 1 https://doi.org/10.1080/00150198008207037	journal	January 1980
Dielectric and ultrasonic investigation of phase transition in cuinp ₂ s ₆ crystals Banys, J.; Macutkevic, J.; Samulionis, V. Phase Transitions, Vol. 77, Issue 4 https://doi.org/10.1080/01411590410001667608	journal	April 2004
Fundamentals of flexoelectricity in solids Yudin, P. V.; Tagantsev, A. K. Nanotechnology, Vol. 24, Issue 43 https://doi.org/10.1088/0957-4484/24/43/432001	journal	October 2013
Strain engineering to facilitate the occurrence of 2D ferroelectricity in CuInP ₂ S ₆ monolayer Sun, Zhi-Zheng; Xun, Wei; Jiang, Li Journal of Physics D: Applied Physics, Vol. 52, Issue 46 https://doi.org/10.1088/1361-6463/ab3aa7	journal	September 2019
Stress-Induced Transformations of Polarization Switching in CuInP2S6 Nanoparticles Morozovska, Anna N.; Eliseev, Eugene A.; Yelisieiev, Mykola E. Physical Review Applied, Vol. 19, Issue 5 https://doi.org/10.1103/PhysRevApplied.19.054083	journal	May 2023
Strain-tunable out-of-plane polarization in two-dimensional materials Zhao, J. Z.; Chen, L. C.; Xu, B. Physical Review B, Vol. 101, Issue 12 https://doi.org/10.1103/PhysRevB.101.121407	journal	March 2020
Phenomenological description of bright domain walls in ferroelectric-antiferroelectric layered chalcogenides Morozovska, Anna N.; Eliseev, Eugene A.; Kelley, Kyle Physical Review B, Vol. 102, Issue 17 https://doi.org/10.1103/PhysRevB.102.174108	journal	November 2020
Stress-induced phase transitions in nanoscale Cu In P 2 S 6 Morozovska, Anna N.; Eliseev, Eugene A.; Kalinin, Sergei V. Physical Review B, Vol. 104, Issue 5 https://doi.org/10.1103/PhysRevB.104.054102	journal	August 2021
Ferrielectric ordering in lamellar CuInP 2 S 6 Maisonneuve, V.; Cajipe, V. B.; Simon, A. Physical Review B, Vol. 56, Issue 17 https://doi.org/10.1103/PhysRevB.56.10860	journal	November 1997
Raman spectroscopy study of the ferrielectric-paraelectric transition in layered CuInP 2 S 6 Vysochanskii, Yu. M.; Stephanovich, V. A.; Molnar, A. A. Physical Review B, Vol. 58, Issue 14 https://doi.org/10.1103/PhysRevB.58.9119	journal	October 1998
Asymmetric phase diagram of mixed CuInP 2 ( S x Se 1 − x ) 6 crystals Macutkevic, J.; Banys, J.; Grigalaitis, R. Physical Review B, Vol. 78, Issue 6 https://doi.org/10.1103/PhysRevB.78.064101	journal	August 2008
Role of high-order electromechanical coupling terms in thermodynamics of ferroelectric thin films Kvasov, Alexander; Tagantsev, Alexander K. Physical Review B, Vol. 87, Issue 18 https://doi.org/10.1103/PhysRevB.87.184101	journal	May 2013
Theory of antiferroelectric phase transitions Tolédano, Pierre; Guennou, Mael Physical Review B, Vol. 94, Issue 1 https://doi.org/10.1103/PhysRevB.94.014107	journal	July 2016
Effect of Mechanical Boundary Conditions on Phase Diagrams of Epitaxial Ferroelectric Thin Films Pertsev, N. A.; Zembilgotov, A. G.; Tagantsev, A. K. Physical Review Letters, Vol. 80, Issue 9 https://doi.org/10.1103/PhysRevLett.80.1988	journal	March 1998
Designing multifunctional two-dimensional layered transition metal phosphorous chalcogenides Swamynadhan, M. J.; Ghosh, Saurabh Physical Review Materials, Vol. 5, Issue 5 https://doi.org/10.1103/PhysRevMaterials.5.054409	journal	May 2021
Screening-induced phase transitions in core-shell ferroic nanoparticles Morozovska, Anna N.; Eliseev, Eugene A.; Vysochanskii, Yulian M. Physical Review Materials, Vol. 6, Issue 12 https://doi.org/10.1103/PhysRevMaterials.6.124411	journal	December 2022
Anharmonic stabilization of ferrielectricity in CuInP2Se6 Sivadas, Nikhil; Doak, Peter; Ganesh, P. Physical Review Research, Vol. 4, Issue 1 https://doi.org/10.1103/PhysRevResearch.4.013094	journal	February 2022
On an Isomorphous Transition Ishibashi, Yoshihiro; Hidaka, Yoshiki Journal of the Physical Society of Japan, Vol. 60, Issue 5 https://doi.org/10.1143/JPSJ.60.1634	journal	May 1991
On an Isomorphous Transition II Ishibashi, Yoshihiro; Iwata, Makoto Journal of the Physical Society of Japan, Vol. 71, Issue 10 https://doi.org/10.1143/JPSJ.71.2576	journal	October 2002

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