畴极化转动对多晶铁电材料断裂特性的影响

主要基于细观力学方法揭示了畴极化转动对多晶铁电陶瓷的各向异性断裂特性的平均影响。首先,用Eshelby-Mori-Tanaka理论和统计模型分析了无穷大铁电材料体中一椭球夹杂的内、外电弹性场,得到畴极化转动对电弹性场的平均影响;其次,推导了等效多晶铁电陶瓷中含一钱币状裂纹的裂纹扩展力(能量释放率)G_ext,并用它估计了畴极化转动对多晶铁电陶瓷断裂特性的影响。对BaTiO₃陶瓷中裂纹扩展力的计算结果表明,对多晶铁电材料断裂特性分析必须考虑畴极化转动的影响。计算结果得出了与实验相一致的结论:在受较小的力时,外加电场对裂纹扩展产生较大的影响,而且在某种程度上能促进了裂纹扩展。     

弛豫铁电体介电可调性的研究

无铅弛豫铁电体具有较好的介电可调性,在顺电相有较大的介电常数和极小的损耗,因较大的优值而被广泛地用于微波器件.根据现有的介电可调性理论,通过参量的适当修正,对介电可调性的表达式做了合理的探讨,结论适用于处理实验结果.比较发现,在电场作用下顺电相保持不变的近似得出的结论与实验结果差距较大,而转化为铁电相与实验结果完全吻合.考虑外加电场和自发极化对弹性吉布斯自由能的修正,导出了高电场对介电常数的修正关系,与实验结果相符.提出了介电可调度的概念与计算公式,能够定量表示掺杂对介电可调性的影响.     

Physics of organic ferroelectric field‐effect transistors

Most of the envisaged applications of organic electronics require a nonvolatile memory that can be programmed, erased, and read electrically. Ferroelectric field‐effect transistors (FeFET) are especially suitable due to the nondestructive read‐out and low power consumption. Here, an analytical model is presented that describes the charge transport in organic FeFETs. The model combines an empirical expression for the ferroelectric polarization with a density dependent hopping charge transport in organic semiconductors. Transfer curves can be calculated with parameters that are directly linked to the physical properties of both the comprising ferroelectric and semiconductor materials. A unipolar FeFET switches between a polarized and depolarized state, and an ambipolar FeFET switches between two stable polarized states. A good agreement between experimental and calculated current is obtained. The method is generic; any other analytical model for the polarization and charge transport can be easily implemented and can be used to identify the origin of the different transconductances reported in the literature. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011     

A SIMPLE CONSTITUTIVE MODEL FOR FERROELECTRIC CERAMICS UNDER ELECTRICAL/MECHANICAL LOADING

A simple phenomenological model is developed for describing the macroscopic constitutive response of ferroelectric materials based on consideration of the fact that domain switching is a progressive evolution process with loading. The volume fraction of domain switching is taken as an internal variable, which is derived from the domain nucleation theory. The proposed theory can simulate the dielectric hysteresis, reversed butterfly hysteresis, nonlinear strain-stress hysteresis, as well as electric displacement-stress relation of ferroelectric materials. Its comparison with experimental results and two other theoretical models reveals that the model presented can well predict the nonlinear hysteresis of ferroelectrics under electrical or mechanical loading.     

球形无规键无规场模型研究弛豫铁电体极化效应

基于球形无规键无规场模型和电场作用下弛豫铁电体微畴-宏畴机理,利用模糊畴界观点以及电场对极化的分数维效应,分析了电场对畴的作用机理.研究结果表明:电场对畴的诱导偶极子增量的极化效应导致了电滞回线的不饱和及相关的大的电致伸缩效应;而畴的偶极子增量耦合时结合能的变化对低电场的电滞回线略有影响,但基本不会改变高电场时的极化状态.初始微畴大小对电滞回线非常重要,细小的微畴会导致细长的电滞回线及电场与电致伸缩良好的线性关系.     

An Order–Disorder Ferroelectric Host–Guest Inclusion Compound

The host–guest complex [(DIPA)([18]crown‐6)](ClO₄) ( 1 ; DIPA=2,6‐diisopropylanilinium) was constructed and found to undergo a sequence of phase transitions (Ibam–Pbcn–Pna2₁) at T₁=278 K and T₂=132 K, respectively. Systematic characterizations, such as differential scanning calorimetry, heat capacity, temperature‐dependent dielectric constant, and P–E hysteresis loop, reveal that the centrosymmetric‐to‐polar phase transition at T₂ is a paraelectric‐to‐ferroelectric transition. The symmetry breaking was also confirmed by temperature‐dependent second‐harmonic generation effect and X‐ray powder diffraction. The ferroelectric mechanism is attributable to the linear motion of the perchlorate counterions accompanied by the order–disorder transition of the [18]crown‐6 molecules and the anions.     

First principles study on the ferroelectricity of the perovskite ABO3 ferroelectrics

In order to understand well the different ferroelectric behaviour of quantum paraelectrics and ferroelectrics and the origin of the ferroelectricity of the solid solution KTa0.5Nb0.5O3(KTN),we calculated the electronic structure of CaTiO3,BaTiO3 and KTN by first principles calculation.From total energy analysis,it is shown that,with increasing cell volume,the crystals (CaTiO3,SrTiO3) will have a ferroelectric instability.For BaTiO3,the ferroelectricity will disappear as the cell volume is decreased.From the density of states analysis,it is shown that the hybridization between B d and O p is very important for the ferroelectric stability of ABO3 perovskite ferroelectrics.This is consistent with the analysis of band structure.