Ferroelectric Phase Transitions in Films with Depletion Charge

We consider ferroelectric phase transitions in both short-circuited and biased ferroelectric-semiconductor films with a space (depletion) charge which leads to some unusual behavior. It is shown that in the presence of the charge the polarization separates into `switchable' and `non-switchable' parts. The electric field, appearing due to the space charge, does not wash out the phase transition, which remains second order but takes place at somewhat reduced temperature. At the same time, it leads to a suppression of the ferroelectricity in a near-electrode layer. This conclusion is valid for materials with both second and first order phase transitions in pure bulk samples. Influence of the depletion charge on thermodynamic coercive field reduces mainly to the lowering of the phase transition temperature, and its effect is negligible. The depletion charge can, however, facilitate an appearance of the domain structure which would be detrimental for device performance (fatigue). We discuss some issues of conceptual character, which are generally known but were overlooked in previous works. The present results have general implications for small systems with depletion charge.Comment: 11 pages, REVTeX 3.1, five eps-figures included in the text. Minor clarifications in the text. To appear in Phys. Rev. B 61, Apr 1 (2000

Very large dielectric response of thin ferroelectric films with the dead layers

We study the dielectric response of ferroelectric (FE) thin films with "dead" dielectric layer at the interface with electrodes. The domain structure inevitably forms in the FE film in presence of the dead layer. As a result, the effective dielectric constant of the capacitor $\epsilon_{eff}$ increases abruptly when the dead layer is thin and, consequently, the pattern of 180-degree domains becomes "soft". We compare the exact results for this problem with the description in terms of a popular "capacitor" model, which is shown to give qualitatively incorrect results. We relate the present results to fatigue observed in thin ferroelectric films.Comment: 5 pages, REVTeX 3.1 with one eps-figure. A note added that the linear response is not changed by electromechanical effect. To appear in Phys. Rev.

The broad Brillouin doublets and central peak of KTaO_3

The incipient ferroelectric KTaO3 presents low-T Brillouin spectra anomalies,e.g. a broad central peak (CP), and some additional Brillouin doublets (BD), whose origin is interpreted in terms of phonon-density fluctuation processes. A parameterisation from new extensive high-resolution neutron-scattering measurements is used to show that hydrodynamic second sound from high damping (compared to BD frequency) TA phonons may exist in the crystal. Furthermore, low damping thermal phonons may scatter light through two-phonon difference processes and appear on the Brillouin spectra either as a sharp or a broader BD, depending on the phonon damping and group velocity . The comparison between computed anisotropies and experimental measurements favours the second process.Comment: 3 pages, 1 figure, ECNS99 Proceedings. See http://www.ill.fr

A first-principles study of oxygen vacancy pinning of domain walls in PbTiO3

We have investigated the interaction of oxygen vacancies and 180-degree domain walls in tetragonal PbTiO3 using density-functional theory. Our calculations indicate that the vacancies do have a lower formation energy in the domain wall than in the bulk, thereby confirming the tendency of these defects to migrate to, and pin, the domain walls. The pinning energies are reported for each of the three possible orientations of the original Ti-O-Ti bonds, and attempts to model the results with simple continuum models are discussed.Comment: 8 pages, with 3 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/lh_dw/index.htm

Nature of Sonoluminescence: Noble Gas Radiation Excited by Hot Electrons in "Cold" Water

We show that strong electric fields occurring in water near the surface of collapsing gas bubbles because of the flexoelectric effect can provoke dynamic electric breakdown in a micron-size region near the bubble and consider the scenario of the SBSL. The scenario is: (i) at the last stage of incomplete collapse of the bubble the gradient of pressure in water near the bubble surface has such a value and sign that the electric field arising from the flexoelectric effect exceeds the threshold field of the dynamic electrical breakdown of water and is directed to the bubble center; (ii) mobile electrons are generated because of thermal ionization of water molecules near the bubble surface; (iii) these electrons are accelerated in ''cold'' water by the strong electric fields; (iv) these hot electrons transfer noble gas atoms dissolved in water to high-energy excited states and optical transitions between these states produce SBSL UV flashes in the trasparency window of water; (v) the breakdown can be repeated several times and the power and duration of the UV flash are determined by the multiplicity of the breakdowns. The SBSL spectrum is found to resemble a black-body spectrum where temperature is given by the effective temperature of the hot electrons. The pulse energy and some other characteristics of the SBSL are found to be in agreement with the experimental data when realistic estimations are made.Comment: 11 pages (RevTex), 1 figure (.ps

Pseudoferroelectricity: A possible scenario for doped ZnO

A phenomenological Landau-theory model, where a crystal on cooling from a state with polar symmetry exhibits a maximum of dielectric permittivity and polarization-field hysteresis loops, is offered. The model is equivalent to that of a true ferroelectric in a weak external dc bias. Permittivity maximum occurs as a result of crossing the Widom line. In the model, the role of the external bias plays an intrinsic internal bias originating from a weak polarity of the high temperature state of the material. The results obtained show that the ferroelectriclike phenomena reported for doped ZnO are compatible with a Landau-theory description

Landau Expansion for Ferroelectrics: Which Variable to Use?

The problem of the choice of the order parameter of the Landau expansion of proper ferroelectrics is discussed. The expansion with respect to the (i) electric displacement, (ii) polarization, (iii) ferroelectric contribution to the polarization, (iv) "order" parameter within the pseudo-proper approach, and (v) soft-mode displacements within the weak-ferroelectric approach are compared. The following conclusions concerning applicability of these expansions are made. The description in terms of the electric displacement is only of historical interest. This approach may lead to essentially wrong conclusions while it has no advantage over approach (ii) in terms of the simplicity of the framework. Approaches (ii) to (v) provide progressively more reliable descriptions of properties of ferroelectrics, although they are progressively more complex as well. Depending on the situation addressed, approaches ( ii) to ( iv) may lead to erroneous results or may be unable to describe a certain effect. In case the depolarizing energy comes into play approach (ii) may fail while (iii)-(v) still work well. In materials with anomalously small Curie Weiss constants ("weak ferroelectrics" with anomalously small effective charge of the soft mode) the full description is provided by approach (v), while a partial description is possible within (ii) to (iv)

Novel Electromechanical Phenomena at the Nanoscale: Phenomenological Theory and Atomistic Modeling

In the past two decades, the fact that “small is different” has been established for a wide variety of phenomena, including electrical, optical, magnetic, and mechanical behavior of materials. However, one largely untapped but potentially very important area of nanoscience involves the interplay of electricity and mechanics at the nanoscale. In this article, predicated on both phenomenological approaches and atomistic calculations, we summarize the state-of-the-art in understanding electromechanical coupling at the nanoscale. First, we address flexoelectricity—the coupling of strain gradient to polarization. Flexoelectricity exists in both piezoelectric and nonpiezoelectric dielectrics. As a high-order spatial-dispersion effect, the flexoelectricity becomes more and more important with the reduction of the spatial scale of the problem. Exploitation of this phenomenon and the associated nanoscale size effects can lead to tantalizing applications, such as “piezoelectric nanocomposites without using piezoelectric materials.” The second issue concerns electromechanical effects at the dielectric/metal interface. An interface in solids typically exhibits a lower symmetry compared to that of the associated adhering materials. This symmetry reduction can drastically affect the electromechanical and dielectric behavior of the material at the nanoscale

Electrical tuning of dc bias induced acoustic resonances in paraelectric thin films

A theoretical model for the dc bias dependence of induced acoustic resonances in paraelectric materials is presented. The field dependent piezoelectric constitutive equations were derived from the Landau free energy expansion with respect to the ferroelectric part of the polarization P. To derive the field dependent coefficients correctly, we demonstrate that it is important to take both linear and nonlinear electrostriction as well as the background permittivity into account. Two different resonator geometries, corresponding to the thickness excitation (TE) and the lateral field excitation (LFE) modes, are discussed and compared. In the TE mode the resonance frequency is expected to be much stronger dc bias dependent than the antiresonance frequency. In the LFE mode, both resonance and antiresonance frequencies may exhibit comparable dc bias dependences. In this case the antiresonance frequency shows a stronger tuning with increasing dc bias than the resonance frequency. We model the behavior of the field dependent acoustic resonances in BaxSr1−xTiO3 thin films addressing different compositions and orientations of the films. Our theoretical model corroborates the experimental results available in the literature