Diffuse Scattering and Monte Carlo Studies of Relaxor Ferroelectrics

A renewed interest in the field of ferroelectricity has taken place in recent years since the finding of exceptional piezoelectric properties in the lead-oxide class of relaxor ferroelectric materials typified by the disordered perovskite PbZn_1/3Nb_2/3O₃ (PZN). Although PZN and numerous related materials have been extensively studied over a long period, a detailed understanding of the exact nature of their polar nanostructure has still not emerged. In this article, we describe the development of Monte Carlo computer models, which seek to account for the detailed three-dimensional (3-D) diffuse neutron scattering data that have been recorded from a single crystal of PZN. It has been established that the observed diffuse patterns are due to planar nanodomains oriented normal to the six directions, but there is still some uncertainty concerning the direction of the local Pb ionic shifts, which remains an area of controversy. It is argued that further detailed analysis and experiments in which data are recorded with the crystal in an applied field should allow these remaining issues to be resolved. This article is based on a presentation given in the symposium entitled “Neutron and X-Ray Studies for Probing Materials Behavior,” which occurred during the TMS Spring Meeting in New Orleans, LA, March 9–13, 2008, under the auspices of the National Science Foundation, TMS, the TMS Structural Materials Division, and the TMS Advanced Characterization, Testing, and Simulation Committee.     

Pb（Mg1／3Nb2／3）O3-PbTiO3-PbZrO3陶瓷在准同型相界附近的结构与性能研究

基于Pb(Mg1/3Nb2/3)O3-PbTiO3(PMN-PT)和PbZrO3-PbTiO3 (PZT)两个赝二元体系的准同型相界组分和线性组合规律,设计了一系列具有准同型相界组分的PMN-PT-PZ赝三元体系.采用传统的铌铁矿预合成法制备了各组分的铁电陶瓷,研究了它们的相结构及介电、压电和铁电性能.研究表明,该系列PMN-PT-PZ赝三元系铁电陶瓷都具有三方与四方相共存的准同型结构和优异的电学性能.其中,PZ含量为40%(摩尔分数)的0.16PMN-0.44PT-0.4PZ铁电陶瓷样品具有最佳的综合电性能,其室温介电常数εr为2014,压电常数d33为410 pC · N-1,机电耦合系数kp为0.58,剩余极化强度Pr为34.5 μC·cm-2,矫顽场Ec为13.4 kV·cm-1.     

Monte Carlo Simulation Study of Diffuse Scattering in PZT,Pb(Zr,Ti)O<Subscript>3</Subscript>

Transverse polarized diffuse streaks have been observed in diffraction patterns of Pb(Zr_1?x Ti _x )O₃ (PZT) ceramics for compositions ranging from x = 0.3 (rhombohedral phase) to x = 0.7 (tetragonal phase) including the important morphotropic phase boundary (MPB) region (x = 0.48). The streaks correspond to diffuse planes of scattering in three dimensions, and these are oriented normal to the (cubic) \( \langle 111\rangle_{c} \) directions. A Monte Carlo (MC) model has been developed that convincingly reproduces the observed diffraction patterns. In this model, the displacements of Pb ions running in chains along each of the \( \langle 111\rangle_{c} \) directions are directed along the chain and are strongly correlated from cell to cell. There is no evidence of lateral correlation. Neighboring chains are essentially independent. At this stage, it is not clear what role the local order revealed by the scattering might play in governing the exceptional piezo-electric properties of the material, but its presence requires the currently accepted models for the average structure to be reassessed.     

钽铌精矿分解后矿渣中(Ta,Nb)2O5的回收利用

叙述了钽铌精矿经酸分解，矿浆萃取，过滤后的残渣采用搅洗，漂洗，摇选的方法成功地回收富集钽铌渣中的Ta2O5,Nb2O5。该回收工艺投资少，操作简便，经济效益可观。     

Growth and property enhancement of Er3+-doped 0.68Pb(Mg1/3Nb2/3)O3-0.32PbTiO3 single crystal

Er~(3+)-modified 0.68 Pb(Mg_(1/3)Nb_(2/3))O_3-0.32 PbTiO_3(PMN-32 PT) single crystals were grown by using the flux method. The growth mechanism of the crystal and influences of Er~(3+) ions on phase structure,electrical and optical properties were investigated. Results reveal that the crystals are still pure perovskite structure with Er3+ ions doping, but lattice enlarges slightly. The coercive electric field is increased from 4.83 to 6.37 kV/cm for [100]-oriented crystals comparing to undoped PMN-32 PT single crystals.Moreover, the crystal exhibits upconversion emission properties. Green(531 and 552 nm) and red(670 nm) emission bands are recorded under the excitation of 980 nm diode laser, which correspond to the ~2 H_(11/2)→~4 I_(15/2), ~4 S_(3/2)→~4 I_(15/2) and ~4 F_(9/2)→~4 I_(15/2) transitions of Er~(3+) ions. Our results show the feasibility of using this crystal in photoelectric multifunctional devices.     

Nb2O5、La2O3掺杂对SrTiO3双功能陶瓷半导化及显微结构的影响

主要研究了Nb2O5和La2O3双施主掺杂对SrTiO3陶瓷半导化及显微结构的影响.采用传统电子陶瓷工艺在1420℃弱还原气氛中(N2+石墨)制备了半导化的SrTiO3陶瓷,讨论了在稀土添加总量为0.9%(摩尔分数)的条件下, Nb2O5La2O3比对SrTiO3陶瓷室温电阻率和显微结构的影响.研究结果表明双施主掺杂不仅可以促进SrTiO3陶瓷半导化而且对显微结构有重要影响.Nb2O5La2O3为21时样品室温电阻率为0.89Ω·cm,显微结构较为理想.在此基础上,获得压敏与介电性能较佳的双功能SrTiO3陶瓷元件.