A series of Pb-free ferroelectric materials Ba0.9Sr0.1Ti1-xSnxO3 (BSTS-x) with 0 < x < 0.15 was successfully prepared via solid-state reaction method. The effect of Sn substitution on the crystal structure, microstructure, dielectric behavior, ferroelectric and tunable features of BSTS-x ceramics were systematically investigated. Room temperature (RT) x-ray diffraction (XRD) analysis using the Rietveld refinement method reveals that all the synthesized BSTS-x ceramics were well crystallized into single perovskite structure. The results show a tetragonal phase for 0.00 < x < 0.02, which evolves to orthorhombic and tetragonal coexisting phases for 0.05 < x < 0.07. The composition x = 0.10 showed a mixture of tetragonal, orthorhombic and rhombohedral phases at RT, while a single cubic phase is observed for x = 0.15. The crystal phases determined by XRD were confirmed by Raman spectroscopy. Enhanced dielectric permittivity with a maximum value of ε'~ 35000 is observed for x = 0.10 at RT. The ferroelectric behavior of BSTS-x ceramics was investigated through polarization hysteresis loops and tunability measurements. High tunability of 63% at RT and under the low DC-applied electric field of 1.40 kV/cm is achieved for x = 0.10.
Relaxor ferroelectrics are complex materials with distinct properties different from classic ferroelectrics. Probing frequency depended dielectric susceptibility is its trait. Other empirical laws build on classic ferroelectrics are still applicable to relaxor ferroelectrics. Here we report an abnormal improved dielectric in La doped relaxor ferroelectric 0.4PNN-0.6PHT, which deviated from the consistent variation relationship with piezoelectric coefficient. A mesoscale mechanism is proposed to reveal the origin of the improved dielectric response in 0.4PNN-0.6PHT, where the polar nanoregions …
A dielectric nonlinear response in model two-phase composites, prepared from a displacive ferroelectric material with a dominant dielectric response due to a single oscillator ferroelectric mode and a dielectric material, is characterized by the existence of new modes due to geometric resonances below the percolation threshold in the ferroelectric matrix. The geometric nature of oscilations depends on composition and geometric properties of the mixture. Generation of higher frequency modes is studied within our model and discussed for displacive ferroelectric materials of the $BaTiO_{3}$ type.…
We report the ferroelectric property in Tb2Ti2O7 pyrochlore, prepared by a two-step solid-state reaction method. A concave P-E (polarisation vs electric field) loop observed from 382 K confirms ferroelectricity, below which the loop remains as pointed or banana-shaped. Dielectric plots clearly show an anomaly at 383 K and the magnetic data reveals a deviation from 380 K supporting the observed ferroelectric ordering. The origin of ferroelectricity in Tb2Ti2O7 is discussed which is due to the structural distortion in TiO6 octahedron.
We calculate the pyrocoefficient, static dielectric susceptibility profiles and its thickness dependence of ferroelectric thin films. Also, the temperature dependences of above quantities have been calculated. For the calculations we use Landau phenomenological theory, leading to Lame equations. These equations subject to boundary conditions with different extrapolation length on the surfaces have been solved numerically. The divergency of pyroelectric coefficient and static dielectric susceptibility in the vicinity of thickness induced ferroelectric phase transition (i.e. at $l\approx l_c$ or…
An analysis of the dynamic dielectric and electro-optic relaxation response of thin film ferroelectrics is presented. The analysis is based upon the relaxation of ferroelectric domains with a continuous distribution of sizes given by percolation theory. The resulting temporal response is described by the expression (t^-m) exp(-(t/tau)^beta). The analysis was applied to KNbO3 thin films. Measurements of the polarization, birefringence and dielectric transients show qualitative agreement with the model over 11 orders of magnitude in time.
We report far-infrared dielectric properties of powder form ferroelectric SrTiO3. Terahertz time-domain spectroscopy (THz-TDS) measurement reveals that the low-frequency dielectric response of SrTiO3 is a consequence of the lowest transverse optical (TO) soft mode TO1 at 2.70 THz (90.0 1/cm), which is directly verified by Raman spectroscopy. This result provides a better understanding of the relation of low-frequency dielectric function with the optical phonon soft mode for ferroelectric materials. Combining THz-TDS with Raman spectra, the overall low-frequency optical phonon response of SrTiO…
An accurate estimate of the ferroelectric polarization in ferroelectric-dielectric stacks is important from a materials science perspective, and it is also crucial for the development of ferroelectric based electron devices. This paper revisits the theory and application of the PUND technique in Metal-Ferroelectric-Dielectric-Metal (MFDM) structures by using analytical derivations and numerical simulations. In an MFDM structure the results of the PUND technique may largely differ from the polarization actually switched in the stack, which in turn is different from the remnant polarization of t…
We have proposed the phenomenological description of dielectric hysteresis loops in ferroelectric semiconductors with charged defects and prevailing extrinsic conductivity. Exactly we have modified Landau-Ginsburg approach and shown that the macroscopic state of the aforementioned inhomogeneous system can be described by three coupled equations for three order parameters. Both the experimentally observed coercive field values well below the thermodynamic one and the various hysteresis loop deformations (constricted and double loops) have been obtained in the framework of our model. The obtaine…
Recently, based on the phase-field modeling, it was predicted that Hf1-xZrxO2 (HZO) exhibits the morphotropic phase boundary (MPB) in its compositional phase diagram. Here, we investigate the effect of structural changes between tetragonal (t) and orthorhombic (o) phases on the ferroelectric and dielectric properties of HZO films to probe the existence of MPB region. The structural analysis show that by adjusting the ozone dosage during the atomic layer deposition process and annealing conditions, different ratios of t- to o-phases (f_(t/o) ) were achieved which consequently affect the ferroel…
Ferroelectric domain structure evolution induced by an external electric field was investigated by means of nematic liquid crystal (NLC) method in two strontium-barium niobate single crystals of nominal composition: Sr_{0.70}Ba_{0.30}Nb_{2}O_{6} (SBN:70 - relaxor) and Sr_{0.26}Ba_{0.74}Nb_{2}O_{6} (SBN:26 - ferroelectric). Our results provide evidence that the broad phase transition and frequency dispersion that are exhibited in SBN:70 crystal have a strong link to the configuration of ferroelectric microdomains. The large leakage current revealed in SBN:26 may compensate internal charges acti…
Lead-free Ba0.85Ca0.15Zr0.10Ti0.90O3 (BCZT) ceramics have demonstrated excellent dielectric, ferroelectric and piezoelectric properties in comparison to lead-based materials. The synthesis of pure and crystalline BCZT nanopowders at low temperatures of 25, 80 and 160 C was reported previously by using a sol-gel method followed by a hydrothermal route. In this study, the structural, dielectric and ferroelectric properties of sintered BCZT ceramics at 1250 °C for 10h were investigated. XRD measurements revealed the presence of a single perovskite phase at room temperature with the coexistence of…
The origin of the functional properties of complex oxide superlattices can be resolved using time-resolved synchrotron x-ray diffraction into contributions from the component layers making up the repeating unit. The CaTiO3 layers of a CaTiO3/BaTiO3 superlattice have a piezoelectric response to an applied electric field, consistent with a large continuous polarization throughout the superlattice. The overall piezoelectric coefficient at large strains, 54 pm/V, agrees with first-principles predictions in which a tetragonal symmetry is imposed on the superlattice by the SrTiO3 substrate.
CuCrS2, a Heisenberg antiferromagnet with layered edge sharing triangular lattice, exhibits a spiral magnetic order. Dielectric (E) and polarization studies show magnetoelectric (ME) coupling at Neel temperature (T_N=38 K) where simultaneous dielectric and magnetic long range order occur. The compound shows a diffused ferroelectric (FE) transition and slow relaxation dynamics above T_N, indicative of relaxor FE behavior. Interestingly, memory effect and magnetic field induced rejuvenation are also observed in E, establishing cooperative glassy dynamics and ME coupling even above T_N. We discus…
New relaxor ferroelectric system has been synthesized. BLTN exhibits a smeared maximum of permittivity, characteristic of classic relaxor behaviour, with a peak shift from 185 K at 100 Hz to 300 K at 1 GHz. BNTN undergoes a first order ferroelectric phase transition at 389 K and BLNTN exhibits both a ferroelectric phase transition at 274 K and relaxor behaviour at higher temperatures.
The nanodomain pattern in ferroelectric/dielectric superlattices transforms to a uniform polarization state under above-bandgap optical excitation. X-ray scattering reveals a disappearance of domain diffuse scattering and an expansion of the lattice. The reappearance of the domain pattern occurs over a period of seconds at room temperature, suggesting a transformation mechanism in which charge carriers in long-lived trap states screen the depolarization field. A Landau-Ginzburg-Devonshire model predicts changes in lattice parameter and a critical carrier concentration for the transformation.
Within the modified model of proton ordering of one-dimensional ferroelectric having hydrogen bonds of PbHPO$_4$-type, their thermodynamic and dynamic characteristics are studied and calculated taking into account the linear (by crystal deformations $\varepsilon_i$ ($i=1,3$) and $\varepsilon_4$) contributions into the energy of a proton system but without taking into account the tunneling in the two-particle cluster approximation. There has been obtained a good quantitative description of the temperature dependence of polarization, static dielectric permittivity, heat capacity and frequency de…
A method for the calculation of the temperature dependence of dielectric and piezoelectric responses, based on the use of a first-principles effective Hamiltonian, is described. Results are presented for the ferroelectric perovskite PbTiO3. While the method includes only the soft-mode contributions to the responses, it is argued to give a good description of the divergences or near-divergences of the response functions near the cubic-tetragonal transition. The expression of the response functions in terms of correlation functions is used to provide a real-space interpretation of the responses …
The radiofrequency dielectric response of the lead-free Ba(Zr$_{0.5}$Ti$_{0.5}$)O$_3$ relaxor ferroelectric is simulated using a coarse-grained Hamiltonian. This concept, taken from Real-Space Renormalization Group theories, allows depicting the collective behavior of correlated local modes gathered in blocks. Free-energy barriers for their thermally activated collective hopping are deduced from this {\it ab-initio}-based approach, and used as input data of Kinetic Monte Carlo simulations. The resulting numerical scheme allows to simulate the dielectric response for external field frequencies …
The structural, dielectric and ferroelectric properties of lead-free (Na0.5-xKxBi0.5-xLax)TiO3 powders synthesized by sol-gel self-combustion method were investigated. Rietveld refinement of Synchrotron x-ray diffraction data confirms pure single phase rhombohedral crystal structure with R3c space group for all the compositions and anti-phase octahedral tilting angle decreased with increase in composition x. Homogeneity and elemental proportions were confirmed by Energy dispersive x-ray spectrometry. The temperature-dependent dielectric study has shown two diffuse type of dielectric anomaly fo…
It has been considered that polar nanoregions in relaxors form at Burns temperature Td approx 600 K. High-temperature dielectric investigations of Pb(Mg1/3Nb2/3)O3 (PMN) and 0.7PMN-0.3PbTiO3 reveal, however, that the dielectric dispersion around 600 K appears due to the surface-layer contributions. The intrinsic response, analyzed in terms of the universal scaling, imply much higher Td or formation of polar nanoregions in a broad temperature range, while high dielectric constants manifest that polar order exists already at the highest measured temperatures of 800 K. The obtained critical expon…
We investigate the low temperature behaviour of Pb(In$_{1/2}$Nb$_{1/2}$)O$_{3}$-Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$-PbTiO$_{3}$ using dielectric permittivity measurements. We compare single crystal plates measured in the [001] and [111] directions with a polycrystalline ceramic of the same composition. Poled crystals behave very differently to unpoled crystals, whereas the dielectric spectrum of the ceramic changes very little on poling. A large, frequency dependent dielectric relaxation seen in the poled [001] crystal around 100 K is much less prominent in the [111] crystal, and doesn't occur in …
The authors of paper commented claim that trimethylammonium tetrachlorozincate crystal shows at 282 K the ferroelectric-paraelectric phase transition. But no ferroelectric hysteresis loop was observed below this temperature. Moreover, in the low-temperature phase the ferroelectric domain walls should exist giving dielectric relaxation in a low frequency electric field. The authors conclude that the phase transition is of the second order. This conclusion is contrary to the DSC data where the phase transition has a strong first order character. In the whole measured temperature range the dielec…
Ferroelectric relaxors are complex materials with distinct properties. The understanding of their dielectric susceptibility, which strongly depends on both temperature and probing frequency, have interested researchers for many years. Here we report a macroscopic and phenomenological approach based on statistical modeling to investigate and better understand how the dielectric response of a relaxor depends on temperature. Employing the Maxwell-Boltzmann distribution and considering temperature dependent dipolar orientational polarizability, we propose a minimum statistical model and specific e…
Dielectric response as a function of frequency for high-permittivity dielectric and ferroelectric materials is discussed emphasizing the dynamic behaviour in the microwave and infrared range. After introducing the usual modelling of the polar phonon response and anharmonic hopping in locally dynamically disordered solids, including discussion of displacive and order-disorder ferroelectric phase transitions, we summarised the experimental data for selected ferroelectric, incipient ferroelectric and antiferroelectric perovskite ceramics (STO, BTO, BST, PZO), discussing the dielectric grain size …
In this paper, an efficient computational material design approach (cluster expansion) is employed for the ferroelectric $PbTiO_3$/$SrTiO_3$ system. Via exploring a conguration space including over $3 \times 10^6$ candidates, two special cation ordered configurations: either perfect or mixed 1/1 (101) superlattice, are identified with the mostly enhanced ferroelectric polarization by up to about 100% in comparison with the (001) superlattice. Analyzing these two special configurations reveals the exotic couplings between the antiferrodistortive distortion (AFD) and ferroelectric polarization (…
Dielectric, anelastic and ^139La NMR relaxation measurements have been made on the relaxor ferroelectric Pb(1-3x/2)La(x)Zr(0.2)Ti(0.8)O(3) (PLZT) with x = 0.22. The dielectric susceptibility exihibits the frequency dispersive maximum due to the freezing of the polar degrees of freedom around T ~250 K. The anelastic and especially NMR relaxation, besides this maximum, indicate an intense and broad component at lower temperatures, attributed to rotational modes of the O octahedra, weakly coupled to the polar modes. It is discussed why such short range rotational instabilities, known to occur in …
The polarization and strain response of ferroelectric materials at fields below the macroscopic coercive field is of a paramount importance for the operation of many electronic devices. The response of real ferroelectric and related materials is in general complex and difficult to interpret. The reason for this is that many processes in a ferroelectric material contribute to its properties, often concurrently. Examples include motion of ferroelectric and ferroelastic domains, presence of domains within domains, dynamics of different types of polar nano-entities, interaction of polar nano-entit…
We present here the results of frequency dependent dielectric, polarization and powder X-ray powder diffraction studies in the 300 to 100K temperature range for Ba_0.55Sr_0.45TiO_3. The dielectric results indicate a succession of three relaxor ferroelectric transitions accompanying the cubic to tetragonal to orthorhombic to rhombohedral phase transitions confirmed by XRD studies. Our results confirm the coexistence of the relaxor ferroelectric and ferroelectric behaviours.
Theoretical {\em ab initio} and experimental methods were used to investigate the $x$Bi(Zn,Ti)O$_3$-(1-$x$)PbTiO$_3$ (BZT-PT) solid solution. We find that hybridization between Zn 4$p$ and O 2$p$ orbitals allows the formation of short, covalent Zn-O bonds, enabling favorable coupling between A-site and B-site displacements. This leads to large polarization, strong tetragonality and an elevated ferroelectric to paraelectric phase transition temperature. nhomogeneities in local structure near the 90$^\circ$ domain boundaries can be deduced from the asymetric peak broadening in the neutron and x-…
The ferroelectric polarization switching in ferroelectric hafnium zirconium oxide (Hf0.5Zr0.5O2, HZO) in the HZO/Al2O3 ferroelectric/dielectric stack is investigated systematically by capacitance-voltage and polarization-voltage measurements. The thickness of dielectric layer is found to have a determinant impact on the ferroelectric polarization switching of ferroelectric HZO. A suppression of ferroelectricity is observed with thick dielectric layer. In the gate stacks with thin dielectric layers, a full polarization switching of the ferroelectric layer is found possible by the proposed leaka…
Ferroelectric field-effect transistors (FE-FETs) consisting of tunable dielectric layers are utilized to investigate interfacial transport processes. Large changes in the dielectric constant as a function of temperature are observed in FE-FETs in conjunction with the ferroelectric to paraelectric transition. The devices offer a test bed to evaluate specific effects of polarization on the electrical processes. FE-FETs have dominant contributions from polarization-fluctuation rather than static dipolar disorder prevalent in high k paraelectric dielectric-based FETs. Additionally, photo-excitatio…
The anomalously large dielectric aging in ferroelectric partially deuterated potassium dihydrogen phosphate (DKDP) is found to have multiple distinct mechanisms. Two components cause decreases in dielectric response over a limited range of fields around the aging field. A large fraction of this aging occurs on time scales of ~1000s after a field change, as expected for a hydrogen/deuterium diffusion mechanism. A slower component can give almost complete loss of domain-wall dielectric response at the aging field after weeks of aging. There is also a particularly unusual aging in which the diele…
Epitaxial thin films of relaxor PbMg1/3Nb2/3O3 and PbSc0.5Nb0.5O3, and ferroelectric PbZr0.65Ti0.35O3, Pb0.955La0.045Zr0.65Ti0.35O3, and Ba0.4Sr0.6TiO3 were prepared, and their dielectric properties were studied in a broad range of the measurement conditions. In the ferroelectric state, the presence and the change of configuration of the domains determined both the dynamic dielectric nonlinearity and the polarization hysteresis. In thin-film relaxors, the orientation of the randomly interacting dipoles in a random field was responsible for the dynamic dielectric nonlinearity, while the observe…
Long-range effects on the pyroelectric coefficient and susceptibility of a ferroelectric bilayer with a ferroelectric interfacial coupling are investigated by use of the transverse Ising model within the framework of mean-field theory. The effects of the interfacial coupling and the transverse field on the pyroelectric coefficient and susceptibility of the bilayer are investigated by taking into account the long-range interaction. It is found that the pyroelectric coefficient and susceptibility increase with the decrease of the magnitude of the long-range interaction and the interfacial coupli…
Measurements on 'free-standing' single crystal barium titanate capacitors with thicknesses down to 75nm show a dielectric response typical of large single crystals rather than conventional thin films. There is a notable absence of any broadening or temperature shift of the dielectric peak or loss tangent. Peak dielectric constants of ca. 25,000 are obtained, and Curie-Weiss analysis demonstrates 1st order transformation behavior. This is in surprising contrast to results on conventionally deposited thin film heterostructures, which show large dielectric peak broadening and temperature shifts […
Using effective-field theory with correlations, we investigate the effects of interfacial pseudo-spin coupling fluctuations on the susceptibility and polarization of ferroelectric superlattices within the framework of transverse Ising model. It is found that the interfacial coupling fluctuations increase the susceptibility in the low temperature region. For a strong interfacial coupling, the phase transition temperature decreases with the strength of fluctuations of the interfacial coupling. The dependence of the susceptibility on the superlattice period of $BaTiO_{3}/SrTiO_{3}$ are plotted fo…
Microstrctural, vibrational, ferroelectric and dielectric properties investigation reveals non-stoichiometric chemical ordered regions (CORs) and relaxor like dielectric characteristics in lead magnesium niobate (PMN) ceramics uniaxially hot pressed (HP) at 800 oC to 1200 oC. Occurance of (1/2 1/2 1/2) superlattice reflections along <111> in <110> zone axis SAED pattern as well as the presence of bright nano-meter regions in corresponding dark-field images in 800 oC hot pressed PMN demonstrates formation of the CORs as soon as perovskite phase is formed during calcination and remains unaffecte…
Based on the pseudospin model of the deformed CsH$_2$PO$_4$ crystal within the Glauber method, the equation for the time-dependent mean value of the pseudospin is obtained, which is solved in the case of small deviations from the equilibrium state. Using the solution of the equation, we find expressions for the longitudinal dynamic dielectric constant and relaxation time. Based on the proposed parameters of the theory, the temperature and frequency dependences of the dynamic dielectric constant and the temperature dependence of the relaxation time are calculated and investigated. A detailed nu…
A method for evaluating the piezoelectric response of unpoled ferroelectric ceramics from elastic and dielectric measurements is proposed and tested on BaTiO$_3$. The method is based on the observation that the softening in a ferroelectric phase with respect to the paraelectric phase is of piezoelectric origin. The angular averages of the piezoelectric softening in unpoled ceramics are calculated for ferroelectric phases of different symmetries. The expression of the orientational average with the piezoelectric and dielectric constants of single crystal tetragonal BaTiO$_3$ from the literature…
(1-x)Li0.12Na0.88NbO3-xBaTiO3 (0 to x to 0.40) ferroelectric ceramics were prepared using conventional ceramics route and their phase transitional behavior is investigated by using dielectric spectroscopy. The temperature-dependent dielectric permittivity epsilon'(T) shows a diffused ferroelectric-paraelectric transition for all compositions. An acceptable and competent characterizing parameter (D) of diffused phase transition (DPT), defined by Uchino et al. [J Am Ceram Soc 2010;93:4011], was measured and validated. Interestingly, a crossover from diffused ferroelectric phase transition (FE-DP…
Motion of ferroelectric domain walls greatly contributes to the macroscopic dielectric and piezoelectric response of ferroelectric materials. The domain wall motion through the ferroelectric material is however hindered by pinning on crystal defects which substantially reduces these contributions. Here, using thermodynamic models based on the Landau-Ginzburg-Devonshire theory, we find a relation between microscopic reversible motion of non-ferroelastic 180-degree domain walls interacting with a periodic array of pinning centers and the nonlinear macroscopic permittivity. We show, that the reve…
We report the temperature dependent capacitance-voltage characteristics of Pt/SrTiO3 Schottky diodes fabricated using compressively strained SrTiO3 thin films grown on (LaAlO3)0.3(Sr2AlTaO6)0.7 (LSAT) substrates. The measurements reveal a divergence of the out of plane dielectric constant of SrTiO3 peaked at ~140K, implying a ferroelectric transition. A Curie-Weiss law fit to the zero-bias dielectric constant suggests a Curie temperature of ~56 K. This observation provides experimental confirmation of the theoretical prediction of out of plane ferroelectricity in compressively strained SrTiO3 …
Phase, microstructural, dielectric and ferroelectric properties investigation clearly reveal that the charge imbalance created due to alio-valent Gd3+-ion substitution at Pb2+ site in lead magnesium niobate should be compensated by changing B-site cation ratio instead of creating A-site or B-site vacancies. Microstructure analysis along with elemental mapping exhibit segregation of magnesium oxide (MgO) and gadolinium niobate (GdNbO4) phase, which is observed to remain invariant to the charge compensation mechanism. Fitting of frequency dependent temperature of dielectric constant maximum Tm (…
The effect of epitaxial strain on the phonon spectra, crystal structure, spontaneous polarization, dielectric, piezoelectric, and elastic properties of (001)-oriented ferroelectric (BaTiO$_3$)$_m$/(SrTiO$_3$)$_n$ superlattices ($m = n = {}$1-4) was studied using the first-principles density-functional theory. The ground state of free-standing superlattices is the monoclinic $Cm$ polar phase. Under the in-plane biaxial compressive strain, it transforms to tetragonal $P4mm$ polar phase, and under the in-plane biaxial tensile strain, it transforms to orthorhombic $Amm2$ polar phase. When changing…
Ferroelectric and multiferroic materials form an important class of functional materials. Over the last twenty years, first-principles-based effective Hamiltonian approaches have been successfully developed to simulate these materials. In recent years, effective Hamiltonian approaches were further combined with molecular dynamics methods to investigate terahertz dynamical properties of various perovskites. With this combination, a variety of ferroelectric and multiferroic materials, including BaTiO_{3}, Ba(Sr,Ti)O_{3}, Pb(Zr,Ti)O_{3}, BiFeO_{3}, and SrTiO_{3} bulks and films have been simulate…
We present the results of the thermodynamic theory of piezoelectric ferroelectrics and of the phenomenological theory of thermodynamic characteristics of the KH$_{2}$PO$_{4}$ type ferroelectrics. Available experimental data for the dielectric, piezoelectric, and elastic characteristics of the KH$_{2}$PO$_{4}$ type ferroelectrics and NH$_4$H$_{2}$PO$_{4}$ type antiferroelectrics are described using the proposed microscopic theory of these crystals. Using the results of the thermodynamic theory and experimental data we calculate the dielectric, piezoelectric, and elastic characteristics of the K…
A parameterized effective Hamiltonian approach is used to investigate KTaO$_3$. We find that the experimentally observed anomalous dielectric response of this incipient ferroelectric is well reproduced by this approach, once quantum effects are accounted for. Quantum fluctuations suppress the paraelectric--to--ferroelectric phase transition; it is unnecessary to introduce defects to explain the dielectric behavior. The resulting quantum-induced local structure exhibits off-center atomic displacements that display {\sl longitudinal, needle-like correlations} extending a few lattice constants.
Ferroelectrics usually adopt a multi-domain state with domain walls separating domains with polarization axes oriented differently. It has long been recognized that domain walls can dramatically impact the properties of ferroelectric materials. The enhancement of low-field susceptibility/permittivity under subswitching conditions is usually attributed to the reversible domain wall vibration. Recent experiments highlight the stationary domain wall contribution to the dielectric susceptibility irrespective of any lateral displacements or deformations of the wall. We study the effects of domain w…
The possibility of controlling the domain structure in spherical nanoparticles of uniaxial and multiaxial ferroelectrics using a shell with tunable dielectric properties is studied in the framework of Landau-Ginzburg-Devonshire theory. Finite element modeling and analytical calculations are performed for Sn2P2S6 and BaTiO3 nanoparticles covered with high-k polymer, temperature dependent isotropic paraelectric strontium titanate, or anisotropic liquid crystal shells with a strongly temperature dependent dielectric permittivity tensor. It appeared that the tunable paraelectric shell with a tempe…
Atomic-scale understanding of HfO2 ferroelectricity is important to help address many challenges in developing reliable and high-performance ferroelectric HfO2 (fe-HfO2) based devices. Though investigated from different angles, a factor that is real device-relevant and clearly deserves more attention has largely been overlooked by previous research, namely, the fe-HfO2/dielectric interface. Here, we investigate the electronic structures of several typical interfaces formed between ultrathin fe-HfO2 and oxide dielectrics in the sub-3-nm region. We find that interface formation introduces strong…
The interest in ferroelectric van der Waals crystals arises from the potential to realize ultrathin ferroic systems owing to the reduced surface energy of these materials and the layered structure that allows for exfoliation. Here, we quantitatively unravel giant negative electrostriction of van der Waals layered copper indium thiophosphate (CIPS), which exhibits an electrostrictive coefficient Q33 as high as -3.2 m4/C2 and a resulting bulk piezoelectric coefficient d33 up to -85 pm/V. As a result, the electromechanical response of CIPS is comparable in magnitude to established perovskite ferr…
We present the first analytical study of phase transitions in ferroelastic-ferroelectric epitaxial thin films on exactly solvable model. The emerging domain structure with domains of equal width (which may be exponentially large on a "soft" substrate) always remains stable irrespective of the film thickness. The dielectric response of an epitaxial film is {\em smaller} than that of a free film, in striking contrast with assertions in the literature.
