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Register a new userStructure Factor of a Relaxor Ferroelectric
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Added by
Gian Guzm\\'an-Verri G
Publication date
2012
fields
Physics
and research's language is
English
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We study a minimal model for a relaxor ferroelectric including dipolar interactions, and short-range harmonic and anharmonic forces for the critical modes as in the theory of pure ferroelectrics together with quenched disorder coupled linearly to the critical modes. We present the simplest approximate solution of the model necessary to obtain the principal features of the correlation functions. Specifically, we calculate and compare the structure factor measured by neutron scattering in different characteristic regimes of temperature in the relaxor PbMg$_{1/3}$Nb$_{2/3}$O$_3$.
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We study the free energy landscape of a minimal model for relaxor ferroelectrics. Using a variational method which includes leading correlations beyond the mean-field approximation as well as disorder averaging at the level of a simple replica theory, we find metastable paraelectric states with a stability region that extends to zero temperature. The free energy of such states exhibits an essential singularity for weak compositional disorder pointing to their necessary occurrence. Ferroelectric states appear as local minima in the free energy at high temperatures and become stable below a coexistence temperature $T_c$. We calculate the phase diagram in the electric field-temperature plane and find a coexistence line of the polar and non-polar phases which ends at a critical point. First-order phase transitions are induced for fields sufficiently large to cross the region of stability of the metastable paraelectric phase. These polar and non-polar states have distinct structure factors from those of conventional ferroelectrics. We use this theoretical framework to compare and to gain physical understanding of various experimental results in typical relaxors.
Atomic force microscopy was used to investigate ferroelectric switching and nanoscale domain dynamics in epitaxial PbZr0.2Ti0.8O3 thin films. Measurements of the writing time dependence of domain size reveal a two-step process in which nucleation is followed by radial domain growth. During this growth, the domain wall velocity exhibits a v ~ exp[-(1/E)^mu] dependence on the electric field, characteristic of a creep process. The domain wall motion was analyzed both in the context of stochastic nucleation in a periodic potential as well as the canonical creep motion of an elastic manifold in a disorder potential. The dimensionality of the films suggests that disorder is at the origin of the observed domain wall creep. To investigate the effects of changing the disorder in the films, defects were introduced during crystal growth (a-axis inclusions) or by heavy ion irradiation, producing films with planar and columnar defects, respectively. The presence of these defects was found to significantly decrease the creep exponent mu, from 0.62 - 0.69 to 0.38 - 0.5 in the irradiated films and 0.19 - 0.31 in the films containing a-axis inclusions.
Field-induced domain wall dynamics in ferroelectric materials underpins multiple applications ranging from actuators to information technology devices and necessitates a quantitative description of the associated mechanisms including giant electromechanical couplings, controlled non-linearities, or low coercive voltages. While the advances in dynamic Piezoresponse Force Microscopy measurements over the last two decades have rendered visualization of polarization dynamics relatively straightforward, the associated insights into the local mechanisms have been elusive. Here we explore the domain dynamics in model polycrystalline materials using a workflow combining deep learning-based segmentation of the domain structures with non-linear dimensionality reduction using multilayer rotationally-invariant autoencoders (rVAE). The former allows unambiguous identification and classification of the ferroelectric and ferroelastic domain walls. The rVAE discover the latent representations of the domain wall geometries and their dynamics, thus providing insight into the intrinsic mechanisms of polarization switching, that can further be compared to simple physical models. The rVAE disentangles the factors affecting the pinning efficiency of ferroelectric walls, offering insights into the correlation of ferroelastic wall distribution and ferroelectric wall pinning.
Much progress has been made over a long period, spanning more than a century, in understanding the atomic arrangement on various length scales of noncrystalline chalcogens and their transitions upon certain external stimuli. However, it is broadly admitted that there are still several unsettled issues that call for proper rationalization. The current review presents an assessment of Raman scattering studies of noncrystalline phases of elemental chalcogens and their mixtures. First, a few remarks on the analysis of Raman data, related to polarization details and spectra reduction are presented. The effect of temperature, pressure and irradiation on the structure of chalcogens is reviewed in detail. As only selenium can form a stable glass at ambient conditions, the interest on sulfur and tellurium has been placed in the melt and the amorphous phase, respectively, whereas reference is also made to the sporadic structural studies of glassy sulfur at low temperatures. It is shown how Raman scattering can be exploited to explore unique phenomena emerging in the liquid state of sulfur, offering valuable information on the details of lambda transition including various thermodynamic related properties. The subtle nature of this transition in selenium is also discussed. Tellurium is not only impossible to be prepared in the bulk glassy state, but also forms a very liable to crystallization amorphous film. Therefore, the emphasis is placed on light induced nanostructuring and effects related to photo amorphization and photo oxidation.
The nature of the amorphous state has been notably difficult to ascertain at the microscopic level. In addition to the fundamental importance of understanding the amorphous state, potential changes to amorphous structures as a result of radiation damage have direct implications for the pressing problem of nuclear waste encapsulation. Here, we develop new methods to identify and quantify the damage produced by high-energy collision cascades that are applicable to amorphous structures and perform large-scale molecular dynamics simulations of high-energy collision cascades in a model zircon system. We find that, whereas the averaged probes of order such as pair distribution function do not indicate structural changes, local coordination analysis shows that the amorphous structure substantially evolves due to radiation damage. Our analysis shows a correlation between the local structural changes and enthalpy. Important implications for the long-term storage of nuclear waste follow from our detection of significant local density inhomogeneities. Although we do not reach the point of convergence where the changes of the amorphous structure saturate, our results imply that the nature of this new converged amorphous state will be of substantial interest in future experimental and modelling work.
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