SearcharxivSearch

arXiv · cond-mat/0405042

Structural phase transition and dielectric relaxation in Pb(Zn1/3Nb2/3)O3 single crystals

Abstract

The structure and the dielectric properties of Pb(Zn1/3Nb2/3)O3 (PZN) crystal have been investigated by means of high-resolution synchrotron x-ray diffraction (with an x-ray energy of 32 keV) and dielectric spectroscopy (in the frequency range of 100 Hz - 1 MHz). At high temperatures, the PZN crystal exhibits a cubic symmetry and polar nanoregions inherent to relaxor ferroelectrics are present, as evidenced by the single (222) Bragg peak and by the noticeable tails at the basis of the peak. At low temperatures, in addition to the well-known rhombohedral phase, another low-symmetry, probably ferroelectric, phase is found. The two phases coexist in the form of mesoscopic domains. The para- to ferroelectric phase transition is diffused and observed between 325 and 390 K, where the concentration of the low-temperature phases gradually increases and the cubic phase disappears upon cooling. However, no dielectric anomalies can be detected in the temperature range of diffuse phase transition. The temperature dependence of the dielectric constant show the maximum at higher temperature (Tm = 417 - 429 K, depending on frequency) with the typical relaxor dispersion at T < Tm and the frequency dependence of Tm fitted to the Vogel-Fulcher relation. Application of an electric field upon cooling from the cubic phase or poling the crystal in the ferroelectric phase gives rise to a sharp anomaly of the dielectric constant at T 390 K and diminishes greatly the dispersion at lower temperatures, but the dielectric relaxation process around Tm remains qualitatively unchanged. The results are discussed in the framework of the present models of relaxors and in comparison with the prototypical relaxor ferroelectric Pb(Mg1/3Nb2/3)O3.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Y. -H. Bing, A. A. Bokov, Z. -G. Ye, B. Noheda, G. Shirane. 2004-05-03. Structural phase transition and dielectric relaxation in Pb(Zn1/3Nb2/3)O3 single crystals. https://doi.org/10.1088/0953-8984%2F17%2F15%2F020

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Measuring chiral phonons

Chiral phonons are quantized vibrations where the atomic motion in a solid breaks improper rotation symmetries. In many cases, chiral phonons possess angular momenta and are therefore selective to circularly polarized light. Both fundamental and applied research efforts on chiral phonons have been gaining increasing attention owing to their importance in a variety of fields including spintronics, spin-selective chemical reactions, thermal transport, quantum information processing and biosensing, where the bi-directional spin-lattice coupling enabled by chiral phonons can be harnessed in new ways, and potentially lead to new functionalities. Thus far, the studies of chiral phonons across diverse materials platforms have evolved largely independently within these fields, but the experimental techniques are often interrelated. In this perspective, we present a detailed description, as well as advantages and disadvantages of the current approaches for experimentally measuring chiral phonons in chiral and achiral materials. We conclude with a discussion of new methods for measuring chiral phonons. Ultimately, this work seeks to offer an experimental guide for systematically investigating the properties of chiral phonons in various materials systems and applications.

cond-mat.mtrl-sci

A model of grain growth in UN integrating molecular dynamics, phase-field modeling, and uncertainty quantification

Grain growth kinetics and grain-boundary (GB) properties in uranium mononitride (UN) are investigated through an integrated multiscale framework combining molecular dynamics (MD), phase-field modeling, and surrogate-assisted uncertainty quantification. MD simulations yield GB energies for 27 symmetric tilt boundaries from 0--2000~K, which are consistent with available DFT values. The average GB energy is nearly temperature-independent below 1000~K and increases at higher temperatures. A mechanistic pore-drag model applied to the only available grain growth dataset for actinide nitrides yields a mobility reduction factor of $s \approx 0.93$--$0.99$, statistically indistinguishable from unity, confirming that pore drag is negligible under the experimental conditions. The intrinsic GB mobility is therefore extracted directly from the effective mobility, yielding $M_0 = 2.05\times10^{-15}$~m$^4$/(J$\cdot$s) and $Q_M = 0.89$~eV. Phase-field simulations conducted from 1500--2000~K confirm normal curvature-driven grain growth, with grain size distributions converging to the Hillert-like form. A surrogate-assisted global sensitivity analysis---combining principal component analysis, Gaussian process regression, and Sobol decomposition---reveals that the mobility prefactor $M_0$ dominates output variance at all times, followed by the activation energy $Q_M$, while the GB energy $\gamma$ contributes minimally. These results establish the first quantitative grain growth framework for UN and identify the reduction of uncertainty in $M_0$ and $Q_M$ as the highest-priority target for future experimental efforts.

cond-mat.mtrl-sci

Silicon Solar Cell Design for >30% Efficiency via Singlet Fission

Singlet fission (SF) materials convert high-energy photons into multiple charge carriers, providing a route to exceed the efficiency limits of single-junction silicon solar cells without many of the complexities of multi-junction tandem designs. Following the first demonstration of an SF-enhanced silicon solar cell in 2025, there is a need to understand how SF materials can be effectively integrated into high-efficiency industrial silicon devices and translated from proof of concept to a manufacturable technology. Using coupled optical and electrical simulations, we assess the efficiency potential of several industrially relevant silicon cell architectures combined with SF materials. Interdigitated back-contact (IBC) cells offer the greatest potential for improvement due to unrestricted front-surface access and can achieve efficiencies exceeding 33%. However, performance is highly sensitive to front-surface passivation quality. Appropriate silicon design, particularly controlled surface doping and fixed interfacial charge, can mitigate recombination losses and relax passivation requirements for ultra-thin exciton-transfer layers.

cond-mat.mtrl-sci