Shape-induced phase transition of vortex domain structures in ferroelectric nanodots and their controllability by electrical and mechanical loads

Shape-induced phase transition of vortex domain structures （VDSs） in BaTiO3 （BT） nanodots under open circuit boundary condition have been investigated using an effective Hamiltonian method. Our calculation indicates the tetragonal VDS missing in cubic BT nanodots can be induced by varying the shape of a nanodot from cube to platelet. Interestingly, a novel VDS is found in BT nanoplatelets in our simulations. Further investigation shows that it is a result of compromise between the ground state and the symmetry of the shape of the nanodot. Furthermore, based on the novel VDS, routes of controlling VDSs governed by homogeneous electric field and uniform stress are discussed. In particular, our results show the possibility of designing multi-states devices based on a single VDS. ~ 2017 The Authors. Published by Elsevier Ltd on behalf of The Chinese Society of Theoretical and Applied Mechanics.

Synthesis and Microstructure of Partly-oriented Bismuth Layer Structure Ferroelectrics Ceramics SrBi_4Ti_4O_(15)

SrBi4Ti4O15 powder was synthesized by conventional solid state synthesis （ CS ） and molten salt synthesis （ MSS ） . MSS method can synthesize plate-like SrBi4Ti4O15 at lower temperature （900℃） than CS method. Plate-like form becomes more distinct when the synthesis temperature increases. This would help cause the grain orientation of the ceramics after sintering. The sintered samples of MSS had grain orientation at （0,0, 10） plane. The degree of （0,0,10） grain orientation F was 62.1% . Hot pressing made （0,0,10） grain orientation more distinct （ F = 85.7% ）. The microstructures of the sintered samples were detected by SEM. Due to the grain orientation the density of samples fabricated by MSS was lower than that of prepared by CS.

Effective Pyroelectric Coefficient and Polarization Offset of Compositionally Step-like Graded Ferroelectric Structures

In this paper, the effective pyroelectric coefficient and polarization offset of the compositionally step-like graded multilayer ferroelectric structures have been studied by use of the first-principles approach. It is exhibited that the dielectric gradient has a nontrivial influence on the effective pyroelectric coefficient, but has a little influence on the polarization offset; and the polarization gradient plays an important role in the abnormal hysteresis loop phenomenon of the co.mpositionally step-like graded ferroelectric structures. Moreover, the origin of the polarization offset is explored,which can be attributed to the polarization gradient in the compositionally step-like graded structure.

Engineering Thermoelectric Performance of α-GeTe by Ferroelectric Distortion

The rhombohedralα-GeTe can be approximated as a slightly distorted rock-salt structure along its[111]direction and possesses superb thermoelectric performance.However,the role of such a ferroelectric-like structural distortion on its transport properties remains unclear.Herein,we performed a systematic study on the crystal structure and electronic band structure evolutions of Ge_(1-x)Sn_(x)Te alloys where the degree of ferroelectric distortion is continuously tuned.It is revealed that the band gap is maximized while multiple valence bands are converged at x=0.6,where the ferroelectric distortion is the least but still works.Once undistorted,the band gap is considerably reduced,and the valence bands are largely separated again.Moreover,near the ferro-to-paraelectric phase transition Curie temperature,the lattice thermal conductivity reaches its minima because of significant lattice softening enabled by ferroelectric instability.We predict a peak ZT value of 2.6 at 673 K inα-GeTe by use of proper dopants which are powerful in suppressing the excess hole concentrations but meanwhile exert little influence on the ferroelectric distortion.

Study on Ferroelectric and Dielectric Properties of La-Doped CaBi_4Ti_4O_(15)-Based Ceramics

Lanthanum doped bismuth layer structured ferroelectrics （BLSFs） Ca1 - x LaxBi4 （Ti0.9W0. 1 ）4O15 （ x = 0, 0.2, 0.3, 0.4, 0.6） ceramics were prepared by solid-state reaction method. X-ray diffraction （XRD） patterns showed that single phase was formed when x = 0 - 0.6. The effects of La^3＋ doping on dielectric, piezoelectric and ferroelectric properties of Ca1-xLaxBi4（Ti0.9W0.1）4O15 ceramics were studied. Ca0.7La0.3Bi4（Ti0.9W0.1）4O15 ceramic had optimal properties, its dielectric constant was 166.85, dielectric loss was 0.0063, piezoelectric strain constant was 11 pc·N^-1, remanent polarization was 18.1μC·cm^-2 and coercive field was 118 kV·cm^-1. SEM micrographs showed that the grains of CaBi4Ti4O15-based ceramics were plate-like. The results of energy spectrum analysis （EDS） showed that La^3＋ incorporation could increase Bi/Ca ratio.

Structure and Electrical Properties of(Na_(0.5)Bi_(0.5))_(0.94)Ba_(0.06)TiO_3 Ceramic with 0.5 wt% of MnO

The structure and electrical properties of （Na0.5Bi0.5）0.94Ba0.06TiO3 ceramic doped with 0.5 wt% of MnO were investigated in comparison with those of （Na0.5Bi0.5）0.94Ba0.06TiO3 ceramic. It was ascertained that the MnO addition did not cause remarkable change in crystal structure and microstructure. The MnO addition mainly displayed a hard effect on the electrical properties, an increase of coercive field （E） and mechanical quality factor （Qm） together with a decrease of dielectric constant （εr） and piezoelectric constant （d33）. An enhancement of electromechanical coupling factor （kp） with the MnO addition was obtained too. An essential relation between the piezoelectric properties and ferroelectric nature of the ceramics was detected. It was found that the piezoelectric properties of the ceramics highly depended on the corporative contribution of remanent polarization （Pt） and coercive field.

Three dimensional phase field study on the thickness effect of ferroelectric polymer thin film

The electromechanical behavior of poly(vinylidene fluoride-trifluoroethylene)[P(VDF -TrFE)]ferroelectric thin film was investigated using the three dimensional(3D) phase-field method. Various energetic contributions,including elastic,electrostatic,and domain wall energy were taken into account in the variational functional of the phase field model.Evolution of the microscopic domain structures of P(VDF-TrFE) polymer film was simulated.Effects of the in-plane residual stress,the film thickness and externally applied electric bias field on the electromechanical properties of the film were explored.The obtained numerical results showed that the macroscopic responses of the electric hysteresis loops are sensitive to the residual stress and electric bias field.It was also found that thickness has a great effect on the electric hysteresis loops and remanent polarization.

ANALYTICAL SOLUTION FOR RESPONSE OF FERROELECTRIC THIN FILM TO INFRARED RADIATION

Micro-bolometer pixel is an essential element in the infrared focal plane array （IRFPA） of infrared detectors. Its response to infrared radiation is analyzed in this paper. The pixel structure is modeled as a composite laminate thin plate whose sides are measured with the thickness from 0.1-1 μm. Its middle ply is a ferroelectric thin film. Its top surface is covered with a gold or platinum infrared absorber, while the bottom surface is deposited with platinum or lanthanum-nickel. Meanwhile both surfaces are a pair of electrodes. The top surface receives infrared radiation pulses successively. For the very tiny micro bolometer pixel, it is assumed that the infrared radiation is uniformly distributed on the plate. Furthermore, as the ratio of the side length to the thickness of the plate is dramatically large, it is assumed that heat transfer only takes place across the thickness of the plate. The thermal-electric-mechanical coupling governing equations are solved in a form of Fourier series. Results of the displacement, temperature variation and electric output signals of the micro bolometer pixel structure under infrared radiation are obtained, analyzed and compared with experimental data.

Structure instability-induced high dielectric properties in[001]-oriented 0.68Pb(Mg_(1/3)Nb_(2/3))O_3–0.33PbTiO_3 crystals

The structure evolution and origin of ultrahigh dielectric properties have been investigated in the low temperature range from 300 K to 5 K for [001]-oriented 0.68 Pb(Mg_(1/3)Nb_(2/3))O_3–0.33PbTiO_3(PMN–33 PT) crystal. The experimental results reveal that a short-range ordered monoclinic MAis the dominant phase at ambient temperature. As the temperature drops below 270 K, the MAtransforms into monoclinic MC, and the MCremains stable until 5 K. Although no phase transition occurs from 5 K to 245 K, polar nanoregions(PNRs) display visible changes. The instability of PNRs is suggested as responsible for the low temperature relaxation. The ultrahigh dielectric constant at room temperature is associated with the instability of local structure and phase transition. Our research provides an insight into the design of high-performance ferroelectric materials.

Structure and Properties of Mg-doped SrBi_4Ti_4O_(15) Bi-layered Compounds

The structure and properties of Mg-doped SrBi4Ti4O15（SBT） were dicussed. Mg substitution into SBT had two possibilities states with the dopant amount variety. Mg cation substituted mostly into Sr^2＋ and the amount proportion was 68.11%.Mg ion will substitute into Ti ion site in perovskite layer when the doping amount increases. Polarization increases sharply when x=0.1 and then decreases becauses of the domain pinning. The Curie temperature of Mg-doped SBT is about 300 ℃ and there is a broad diffuse phase transition near Tc with a flat peak near the Ta of SBT.

Monte Carlo simulation on dielectric relaxation and dipole cluster state in relaxor ferroelectrics

The Ginzburg-Landau theory on ferroelectrics with random field induced by dipole defects is studied by using Monte Carlo simulation, in order to investigate the dipole configuration and the dielectric relaxation of relaxor ferro-electrics. With the increase of random field, the dipole configuration evolves from the long-range ferroelectric order into the coexistence of short-range dipole-clusters and less polarized matrix. The dipole-cluster phase above the transition temperature and superparaelectric fluctuations far below this temperature are identified for the relaxor ferroelectrics. We investigate the frequency dispersion and the time-domain spectrum of the dielectric relaxation, demonstrating the Vogel-Fulcher relationship and the multi-peaked time-domain distribution of the dielectric relaxation.

Recent Progress in Ferroelectric Diodes: Explorations in Switchable Diode Effect

Switchable diode effect in ferroelectric diodes has attracted much attention for its potential applications in novel nonvolatile memories. We briefly review recent investigations on the switchable diode effect in ferroelectric diodes both experimentally and theoretically. Many recent studies demonstrate that the interfacial barrier between the metal-ferroelectrics could be modulated by the polarization charges, and the ferroelectric polarization that can be reversed by an external electric field plays a dominant role in the switchable diode effect. Moreover, we review a self-consistent numerical model, which can well describe the switchable diode effect in ferroelectric diodes. Based on this model, it can be predicted that it is a better choice to select metals with a smaller permittivity, such as noble metals, to obtain a more pronounced switchable diode effect in ferroelectric diodes.

Influence of substitution of Nd^(3+) for Bi^(3+) on structure and piezoelectric properties of SrBi_(2-χ)Nd_χNb_2O_9(χ=0,0.1,0.2 and 0.4)

SrBi2-χNdχNb2O9(χ=0,0.1,0.2 and 0.4)bismuth layer-structured ferroelectric ceramics were prepared by the solid-state reaction sintering method.The accurate position of Nd element in SrBi2-χNdχNb2O9 ceramics was determined by the X-ray Rietveld method and Synchrotron radiation X-ray absorption fine structure(XAFS)technology.The partial substitution of Nd 3+ for Bi 3+ leads to the decrease in the distortion of NbO6 octahedron for SrBi2-χNdχNb2O9 ceramics and also lowers the piezoelectric properties of SrBi2-χNdχNb2O9 ceramics.Meanwhile,the temperature coefficient of resonant frequency(TCF)decreases when Nd element partially replaces Bi element in SrBi2-χNdχNb2O9 ceramics.

Helix unwinding in ferroelectric liquid crystals induced by tilted electric field

Helix unwinding in ferroelectric liquid crystals induced by an electric field is theoretically studied on the basis of the continuum theory. By applying a weak electric field tilted to the smectic layers, the contribution of the dielectric interaction energy density to the total free energy density is increased. Approximation methods are used to calculate the free energy for different tilt angles between the electric field and the smectic layers. The obtained results suggest selecting the optimal number of pitches in the film that matches to the minimum of the free energy.

Strain tunability of dielectric and ferroelectric properties in epitaxial lead titanate thin films

Many distinguished properties of epitaxial ferroelectric thin films can be tunable through the misfit strain.The strain tunability of ferroelectric and dielectric properties in epitaxial lead titanate ultrathin films is numerically investigated by using a phase field model,in which the surface effect of polarization is taken into account.The response of polarization to the applied electric field in the thickness direction is examined with different misfit strains at room temperature.It is found that a compressive misfit strain increases the coercive field and the remanent polarization while a tensile misfit strain decreases both of them.The nonlinear dielectric constants of the thin films with tensile misfit strains are much larger than those of the thin films without misfit strains,which are attributed to the existence of the a/c/a/c multiple domains in the thin films under tensile misfit strains.

Hybrid improper ferroelectricity and phase transition behavior of Li_(2)Nd_(2)Ti_(3)O_(10)ceramics with A-site ordered triple-layer Ruddlesden-Popper structure

Hybrid improper ferroelectricity has been extensively reported through theoretical prediction and experimental investigation in the oxides with Ruddlesden-Popper(R-P)structures.However,the experimentally reported ferroelectric materials based on triple-layer R-P structures are rare,and the weak ferroelectricity impedes its practical application.In the present work,the single-phase Li_(2)Nd_(2)Ti_(3)O_(10)ceramics with A-site cation ordered triple-layer R-P structure was obtained by spark plasma sintering technique,and the crystal structure of P2_(1)ab symmetry was revealed by neutron powder diffraction and transmission electron microscope analysis.Furthermore,the switchable ferroelectricity in Li_(2)Nd_(2)Ti_(3)O_(10)ceramics has been observed at room temperature,and the saturated polarization-electric field hysteresis loop was obtained with P_(r)=0.4μC/cm^(2)under the electric field of 250 kV/cm.The phase transition behavior of Li_(2)Nd_(2)Ti_(3)O_(10)oxides was revealed by the temperature-dependence Raman and dielectric spectra combined with the piezoelectric property.

Electro–optic response in thin smectic C* film with chevron structures

The effects in electrostatic models of chevron surface-stabilized ferroelectric liquid crystals are investigated through numerical modeling. To study smectic C＊ director distribution within the cell, we consider two nonlinear approaches： the chevron interface does not interplay with the electric field; the electric field interplays with the chevron interface. The obtained results of the director field distribution are compared with the earlier linearized studies. We find that whether or not the electric field interplays with the chevron interface, the electro-optic response requires a generalized approach for its description. The threshold electric field, which is necessary for switching between two stable director states in the chevron cell is evaluated. This study suggests that, in many cases of practical interest, electro-optic response to the electric field and the threshold electric field can be precisely estimated. We argue that, beside being numerically efficient, our approach provides a convenient and a novel standpoint for looking at the electro-optic response problem.

Morphology and defect structures of novel relaxor ferroelectric single crystals Pb(Mg_(1/3)Nb_(2/3))O_3-PbTiO_3

High-performance relaxor ferroelectric single crystals Pb(Mg1/3Nb2/3)O3-PbTiO3 have been grown successfully by a modified Bridgman method. They have the size of 25×25×50 mm3 and are of pure perovskite phases with tetragonal or rhombohedral structures. Their {001} faces appear dominantly, which can be interpreted by the model of an-ionic coordination polyhedral growth units. Main macro defects observed under optical microscopes and SEM can be reduced or removed by improving growth parameters after understanding their formation mechanism. 71°or 109°macrodomains in rhombohedral PMNT 76/24 crystals and 90°macrodomains in tetragonal PMNT 65/35 crystals have been observed by optical microscopes. It has been found that the transition from microdomains to macrodomains can be induced by compositions. Both the imaging mechanism of non-180° domains and the relation between domain configurations and ferroelectric phase transition have been analyzed.

Delineating complex ferroelectric domain structures via second harmonic generation spectral imaging

Understanding the mechanisms and spatial correlations of crystallographic symmetry breaking in ferroelectric materials is essential to tuning their functional properties.While optical second harmonic generation(SHG)has long been utilized in ferroelectric studies,its capability for probing complex polar materials has yet to be fully realized.Here,we develop a SHG spectral imaging method implemented on a home-designed laser-scanning SHG microscope,and demonstrate its application for a model system of(K,Na)NbO3 single crystals.Supervised model fitting analysis produces comprehensive information about the polarization vector orientations and relative fractions of constituent domain variants as well as their thermal evolution across the polymorphic phase transitions.Multiple domains and phases are clearly delineated at different temperatures,suggesting the phase competitions in(K,Na)NbO3.Besides,we show that unsupervised matrix decomposition analysis can quickly and faithfully reveal domain configurations without a priori knowledge about specific material systems.The SHG spectral imaging method can be readily extended to other ferroelectric materials with potentials to be further enhanced.

Structure and ferroelectric properties of P(VDF-TrFE) films prepared under different conditions - Effect of filtration of the copolymer solution

Vinylidene fluoride-trifluoroethylene copolymer films of molar ratio 70/30 with thickness of about 1μm have been deposited from solution in ethyl methyl ketone to a glass substrate with an aluminum electrode by spin coating.The solution has been filtrated through a PTFE membrane filter with pore size 0.2μm directly before spin coating or it has been used as is(unfiltrated).After deposition of a top electrode,the samples have been polarized by hysteresis loops with an electric field amplitude of about 100 V/μm.In samples,annealed at temperature 145°C for 3 h,a high remanent polarization of about 7.5μC/cm2 has been achieved,without significant differences between samples fabricated of filtrated or unfiltrated solution.Spherulitic lamella are growing in films fabricated of filtrated solution when they are heated above the melting temperature to 159°C for 3 min before the further annealing process at 145°C.These films show substantially lower remanent polarization below 4μC/cm2.Pyroelectric images recorded with a pyroelectric laser scanning microscope show that the spherulites have very small pyroelectric activity,i.e.,the spherulites consist of flat-on lamella.In contrast,no spherulitic lamella are growing in films fabricated of unfiltrated solution heated above the melting temperature,melted and annealed under the same conditions.An explanation for this observation is that filtrating changes the structure of the copolymer in solution from polymer coil to rod.Copolymer rods deposited on a substrate will crystallize in flat-on lamella when heated above the melting temperature,in contrast to copolymer coils which crystallize in edge-on lamella.