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Keywords = the Landau-Devonshire theory

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19 pages, 3961 KiB  
Article
Bernoulli Principle in Ferroelectrics
by Anna Razumnaya, Yuri Tikhonov, Dmitrii Naidenko, Ekaterina Linnik and Igor Lukyanchuk
Nanomaterials 2025, 15(13), 1049; https://doi.org/10.3390/nano15131049 - 6 Jul 2025
Viewed by 319
Abstract
Ferroelectric materials, characterized by spontaneous electric polarization, exhibit remarkable parallels with fluid dynamics, where polarization flux behaves similarly to fluid flow. Understanding polarization distribution in confined geometries at the nanoscale is crucial for both fundamental physics and technological applications. Here, we show that [...] Read more.
Ferroelectric materials, characterized by spontaneous electric polarization, exhibit remarkable parallels with fluid dynamics, where polarization flux behaves similarly to fluid flow. Understanding polarization distribution in confined geometries at the nanoscale is crucial for both fundamental physics and technological applications. Here, we show that the classical Bernoulli principle, which describes the conservation of the energy flux along velocity streamlines in a moving fluid, can be extended to the conservation of polarization flux in ferroelectric nanorods with varying cross-sectional areas. Geometric constrictions lead to an increase in polarization, resembling fluid acceleration in a narrowing pipe, while expansions cause a decrease. Beyond a critical expansion, phase separation occurs, giving rise to topological polarization structures such as polarization bubbles, curls and Hopfions. This effect extends to soft ferroelectrics, including ferroelectric nematic liquid crystals, where polarization flux conservation governs the formation of complex mesoscale states. Full article
(This article belongs to the Special Issue Research on Ferroelectric and Spintronic Nanoscale Materials)
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9 pages, 1931 KiB  
Article
Influence of Stress on the Chiral Polarization and Elastrocaloric Effect in BaTiO3 with 180° Domain Structure
by Yuanyuan Shi and Bo Li
Crystals 2024, 14(6), 511; https://doi.org/10.3390/cryst14060511 - 28 May 2024
Viewed by 1025
Abstract
The polarization and elastrocaloric effect of chiral barium titanate (BaTiO3) with an Ising–Bloch-type domain wall under stress was investigated using the Landau–Ginzburg–Devonshire (LGD) theory. It has been shown that tensile stresses increase the magnitude of the Ising polarization component in barium [...] Read more.
The polarization and elastrocaloric effect of chiral barium titanate (BaTiO3) with an Ising–Bloch-type domain wall under stress was investigated using the Landau–Ginzburg–Devonshire (LGD) theory. It has been shown that tensile stresses increase the magnitude of the Ising polarization component in barium titanate, together with a decrease in the domain wall width. Compressive stresses cause a reduction in the Ising polarization component and an increase in the domain width. Under compressive stress, barium titanate exhibits a negative elastrocaloric effect and temperature changes with increasing stress, while BaTiO3 exhibits a positive elastrocaloric effect under tensile stress. Bloch polarization shows angle-dependent polarization under external force, but the temperature change from the elastrocaloric effect is smaller than that of Ising polarization under stress. This work contributes to the understanding of polarization evolution under tension in ferroelectrics with chiral structure. Full article
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19 pages, 6480 KiB  
Article
Ferroelectric Thin Films and Composites Based on Polyvinylidene Fluoride and Graphene Layers: Molecular Dynamics Study
by Vladimir Bystrov, Ekaterina Paramonova, Xiangjian Meng, Hong Shen, Jianlu Wang, Tie Lin and Vladimir Fridkin
Coatings 2024, 14(3), 356; https://doi.org/10.3390/coatings14030356 - 18 Mar 2024
Cited by 2 | Viewed by 2001
Abstract
This work is devoted to the study of nanosized polymer polyvinylidene fluoride (PVDF) thin ferroelectric films (two-dimensional ferroelectrics) and their composites with graphene layers, using molecular dynamics methods to (1) study and calculate the polarization switching time depending on the electric field and [...] Read more.
This work is devoted to the study of nanosized polymer polyvinylidene fluoride (PVDF) thin ferroelectric films (two-dimensional ferroelectrics) and their composites with graphene layers, using molecular dynamics methods to (1) study and calculate the polarization switching time depending on the electric field and film thickness, (2) study and calculate the polarization switching time depending on changes of the PVDF in PVDF-TrFE film, and (3) study the polarization switching time in PVDF under the influence of graphene layers. All calculations at each MD run step were carried out using the semi-empirical quantum method PM3. A comparison and analysis of the results of these calculations and the kinetics of polarization switching within the framework of the Landau–Ginzburg–Devonshire theory for homogeneous switching in ferroelectric polymer films is carried out. The study of the composite heterostructures of the “graphene-PVDF” type, and calculations of their polarization switching times, are presented. It is shown that replacing PVDF with PVDF-TrFE significantly changes the polarization switching times in these thin polymer films, and that introducing various graphene layers into the PVDF layered structure leads to both an increase and a decrease in the polarization switching time. It is shown that everything here depends on the position and displacement of the coercive field depending on the damping parameters of the system. These phenomena are very important for various ferroelectric coatings. Full article
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14 pages, 2207 KiB  
Article
Phase Structures, Electromechanical Responses, and Electrocaloric Effects in K0.5Na0.5NbO3 Epitaxial Film Controlled by Non-Isometric Misfit Strain
by Yingying Wu, Yun Ou, Jinlin Peng and Chihou Lei
Crystals 2023, 13(9), 1321; https://doi.org/10.3390/cryst13091321 - 29 Aug 2023
Cited by 1 | Viewed by 1347
Abstract
Environmentally friendly lead-free K1-xNaxNbO3 (KNN) ceramics possess electromechanical properties comparable to lead-based ferroelectric materials but cannot meet the needs of device miniaturization, and the corresponding thin films lack theoretical and experimental studies. To this end, we developed the [...] Read more.
Environmentally friendly lead-free K1-xNaxNbO3 (KNN) ceramics possess electromechanical properties comparable to lead-based ferroelectric materials but cannot meet the needs of device miniaturization, and the corresponding thin films lack theoretical and experimental studies. To this end, we developed the nonlinear phenomenological theory for ferroelectric materials to study the effects of non-equiaxed misfit strain on the phase structure, electromechanical properties, and electrical response of K0.5Na0.5NbO3 epitaxial films. We constructed in-plane misfit strain (u1u2) phase diagrams. The results show that K0.5Na0.5NbO3 epitaxial film under non-equiaxed in-plane strain can exhibit abundant phase structures, including orthorhombic a1c, a2c, and a1a2 phases, tetragonal a1, a2, and c phases, and monoclinic r12 phases. Moreover, in the vicinity of a2cr12, a1cc, and a1a2a2 phase boundaries, K0.5Na0.5NbO3 epitaxial films exhibit excellent dielectric constant ε11, while at a2cr12 and a1cc phase boundaries, a significant piezoelectric coefficient d15 is observed. It was also found that high permittivity ε33 and piezoelectric coefficients d33 exist near the a2ca2, a1a2r12, and a1ca1 phase boundaries due to the existence of polymorphic phase boundary (PPB) in the KNN system, which makes it easy to polarize near the phase boundaries, and the polarizability changes suddenly, leading to electromechanical enhancement. In addition, the results show that the K0.5Na0.5NbO3 thin films possess a large electrocaloric response at the phase boundary at the a1a2r12 and a1ca1 phase boundaries. The maximum adiabatic temperature change ΔT is about 3.62 K when the electric field change is 30 MV/m at room temperature, which is significantly enhanced compared with equiaxed strain. This study provides theoretical guidance for obtaining K1−xNaxNbO3 epitaxial thin films with excellent properties. Full article
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14 pages, 7351 KiB  
Communication
Optimizing K0.5Na0.5NbO3 Single Crystal by Engineering Piezoelectric Anisotropy
by Weixiong Li, Chunxu Chen, Guangzhong Xie and Yuanjie Su
Nanomaterials 2021, 11(7), 1753; https://doi.org/10.3390/nano11071753 - 5 Jul 2021
Cited by 6 | Viewed by 2603
Abstract
K0.5Na0.5NbO3 is considered as one of the most promising lead-free piezoelectric ceramics in the field of wearable electronics because of its excellent piezoelectric properties and environmental friendliness. In this work, the temperature-dependent longitudinal piezoelectric coefficient d33* [...] Read more.
K0.5Na0.5NbO3 is considered as one of the most promising lead-free piezoelectric ceramics in the field of wearable electronics because of its excellent piezoelectric properties and environmental friendliness. In this work, the temperature-dependent longitudinal piezoelectric coefficient d33* was investigated in K0.5Na0.5NbO3 single crystals via the Landau–Ginzburg–Devonshire theory. Results show that the piezoelectric anisotropy varies with the temperature and the maximum of d33max* deviates from the polar direction of the ferroelectric phase. In the tetragonal phase, d33maxt* parallels with cubic polarization direction near the tetragonal-cubic transition region, and then gradually switches toward the nonpolar direction with decreasing temperatures. The maximum of d33o* in the orthorhombic phase reveals a distinct varying trend in different crystal planes. As for the rhombohedral phase, slight fluctuation of the maximum of d33r* was observed and delivered a more stable temperature-dependent maximum d33maxr* and its corresponding angle θmax in comparison with tetragonal and orthorhombic phases. This work not only sheds some light on the temperature-dependent phase transitions, but also paves the way for the optimization of piezoelectric properties in piezoelectric materials and devices. Full article
(This article belongs to the Special Issue Highly Efficient Energy Harvesting Based on Nanomaterials)
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12 pages, 8895 KiB  
Article
Analysis of the Nonlinear Response of Piezo-Micromirrors with the Harmonic Balance Method
by Andrea Opreni, Nicolò Boni, Roberto Carminati and Attilio Frangi
Actuators 2021, 10(2), 21; https://doi.org/10.3390/act10020021 - 25 Jan 2021
Cited by 33 | Viewed by 6144
Abstract
In this work, we address the simulation and testing of MEMS micromirrors with hardening and softening behaviour excited with patches of piezoelectric materials. The forces exerted by the piezoelectric patches are modelled by means of the theory of ferroelectrics developed by Landau–Devonshire and [...] Read more.
In this work, we address the simulation and testing of MEMS micromirrors with hardening and softening behaviour excited with patches of piezoelectric materials. The forces exerted by the piezoelectric patches are modelled by means of the theory of ferroelectrics developed by Landau–Devonshire and are based on the experimentally measured polarisation hysteresis loops. The large rotations experienced by the mirrors also induce geometrical nonlinearities in the formulation up to cubic order. The solution of the proposed model is performed by discretising the device geometry using the Finite Element Method, and the resulting large system of coupled differential equations is solved by means of the Harmonic Balance Method. Numerical results were validated with experimental data collected on the devices. Full article
(This article belongs to the Special Issue Feature Papers to Celebrate the SCIE Coverage)
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13 pages, 3357 KiB  
Review
Polarization Switching in 2D Nanoscale Ferroelectrics: Computer Simulation and Experimental Data Analysis
by Ekaterina Paramonova, Vladimir Bystrov, Xiangjian Meng, Hong Shen, Jianlu Wang and Vladimir Fridkin
Nanomaterials 2020, 10(9), 1841; https://doi.org/10.3390/nano10091841 - 15 Sep 2020
Cited by 6 | Viewed by 3680
Abstract
The polarization switching kinetics of nanosized ferroelectric crystals and the transition between homogeneous and domain switching in nanoscale ferroelectric films are considered. Homogeneous switching according to the Ginzburg-Landau-Devonshire (LGD) theory is possible only in two-dimensional (2D) ferroelectrics. The main condition for the applicability [...] Read more.
The polarization switching kinetics of nanosized ferroelectric crystals and the transition between homogeneous and domain switching in nanoscale ferroelectric films are considered. Homogeneous switching according to the Ginzburg-Landau-Devonshire (LGD) theory is possible only in two-dimensional (2D) ferroelectrics. The main condition for the applicability of the LGD theory in such systems is its homogeneity along the polarization switching direction. A review is given of the experimental results for two-dimensional (2D) films of a ferroelectric polymer, nanosized barium titanate nanofilms, and hafnium oxide-based films. For ultrathin 2D ferroelectric polymer films, the results are confirmed by first-principle calculations. Fitting of the transition region from homogeneous to domain switching by sigmoidal Boltzmann functions was carried out. Boltzmann function fitting data enabled us to correctly estimate the region sizes of the homogeneous switching in which the LGD theory is valid. These sizes contain several lattice constants or monolayers of a nanosized ferroelectrics. Full article
(This article belongs to the Special Issue Simulation and Modeling of Nanomaterials)
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10 pages, 2514 KiB  
Article
Enhanced Electrocaloric Effect in 0.73Pb(Mg1/3Nb2/3)O3-0.27PbTiO3 Single Crystals via Direct Measurement
by Biao Lu, Xiaodong Jian, Xiongwei Lin, Yingbang Yao, Tao Tao, Bo Liang, Haosu Luo and Sheng-Guo Lu
Crystals 2020, 10(6), 451; https://doi.org/10.3390/cryst10060451 - 31 May 2020
Cited by 36 | Viewed by 3260
Abstract
Electrocaloric properties of [110] and [111] oriented 0.73Pb(Mg1/3Nb2/3)O3-0.27PbTiO3 single crystals were studied in the temperature range of 293–423 K. The Maxwell relations and the Landau–Ginsburg–Devonshire (LGD) phenomenological theory were employed as the indirect method to calculate [...] Read more.
Electrocaloric properties of [110] and [111] oriented 0.73Pb(Mg1/3Nb2/3)O3-0.27PbTiO3 single crystals were studied in the temperature range of 293–423 K. The Maxwell relations and the Landau–Ginsburg–Devonshire (LGD) phenomenological theory were employed as the indirect method to calculate the electrocaloric properties, while a high-resolution calorimeter was used to measure the adiabatic temperature change of the electrocaloric effect (ECE) directly. The results indicate that the directly measured temperature changes of ΔT > 2.5 K at room temperature were procured when the applied electric field was reversed from 1 MV/m to −1 MV/m, which are larger than those deduced pursuant to the Maxwell relation, and even larger than those calculated using the LGD theory in the temperature range of 293–~380 K. Full article
(This article belongs to the Special Issue Synthesis and Characterization of Ferroelectrics)
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7 pages, 1664 KiB  
Article
Wide Electrocaloric Temperature Range Induced by Ferroelectric to Antiferroelectric Phase Transition
by Xiaohui Sun, Houbing Huang, Hasnain Mehdi Jafri, Junsheng Wang, Yongqiang Wen and Zhi-Min Dang
Appl. Sci. 2019, 9(8), 1672; https://doi.org/10.3390/app9081672 - 23 Apr 2019
Cited by 10 | Viewed by 3349
Abstract
The ferroelectric (FE) to antiferroelectric (AFE) phase transition tuning the temperature range of electrocaloric (EC) effects was investigated using phenomenological Landau–Devonshire theory. Contrary to ferroelectric to paraelectric (PE) phase transitions for electrocaloric effects, the ferroelectric to antiferroelectric phase transition was adopted to obtain [...] Read more.
The ferroelectric (FE) to antiferroelectric (AFE) phase transition tuning the temperature range of electrocaloric (EC) effects was investigated using phenomenological Landau–Devonshire theory. Contrary to ferroelectric to paraelectric (PE) phase transitions for electrocaloric effects, the ferroelectric to antiferroelectric phase transition was adopted to obtain large entropy changes under an applied electric field in a Sm-doping BiFeO3 system. In addition, the doping composition and hydrostatic pressure was observed to tune the ferroelectricantiferroelectric–paraelectric phase transition temperatures and broaden the operating temperature range of electrocaloric effects. The optimal wide temperature range of ~78 K was observed at 3 GPa compressive hydrostatic pressures and 0.05 Sm-doping BiFeO3. The present study paves the way to designing high efficiency cooling devices with larger operating temperature spans. Full article
(This article belongs to the Section Materials Science and Engineering)
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