铁电尺寸效应理论研究及其计算机模拟.pdfVIP

摘 要 随着制备工艺的不断提高，铁电材料逐步向小尺寸方向发展。同时，许多实 验表明，尺寸减小会导致的一些新现象的出现。这些小尺寸的铁电材料，在某些 方面已经与传统的陶瓷体材料有了较大的区别，甚至出现与陶瓷截然不同的特 性。人们通常把这些由尺寸变化引起铁电材料各种性能和属性变化的现象叫铁电 相变尺寸效应。 本文即以此为出发点来研究铁电材料的尺寸效应。为了从不同角度说明问 题，本文首先在无机材料领域，模拟了无弹性长程相互作用下电畴的演化过程； 然后利用磁学领域的 Preisach 模型对正态分布的电畴进行了铁电材料的电滞回线 模拟；同时，研究了不同电极对铁电薄膜退极化场及相关电学参量的影响；最后 在有机复合材料领域，提出分割填充模型，模拟不同尺寸下铁电复合薄膜的压电 系数、热释电系数等相关电学参量。 研究表明：弹性长程相互作用力对于电畴演化是一个重要的考虑因素。合理 考察长程相互作用，利用傅氏空间解决周期性边界条件，能够更加准确模拟出铁 电系统中 90° 、180°等铁畴的变化规律；当铁电材料中电畴分布符合标志正态分 布时，水平因子和不对称中心的逐渐增大，会导致铁电材料自发极化和矫顽场同 时增大；同时发现，电畴均一性越高，铁电材料性能越好；对于复合铁电薄膜来 说，Monte Carlo 模拟表明，在小颗粒厚度比和大陶瓷体积分数的条件下，铁电复 合薄膜的热释电系数会出现峰值，这为在实验中制备高性能的铁电复合薄膜提供 了相应的理论依据和指导。 关键词：电畴; 电滞回线; Monte Carlo 模拟 I ABSTRACT With the improvement of preparation technology, Ferroelectric materials gradually developed in the extent of small size. At the same time, many experiments show that some new phenomenon appears as the minishing size. In some ways, these ferroelectric materials of small size are very different from traditional ceramic materials, even reversed. The changes of performance and property in ferroelectric materials with the small size are defined as ferroelectric phase transition size effect. In this paper, size effect of ferroelectric materials was researched from this point. In order to analyze this problem from different ways, this paper firstly simulated the domain evolvement without long-rang elastic force in the inorganic field. Secondly, Preisach model within magnetic field was used to simulation the ferroelectric hysteresis under the normal distribution. The depolarization-field effect was also researched with different electrode. In the end, in the organic composite field, this paper brought out cut- filled mode to simulate electric parameters of ferroelectric composite films, such as piezoelectric coefficient, pyroelectric constant, and so on. The results show that long-rang elastic f