电极和结构过渡层对铁电薄膜介电及热释电性质的影响
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摘要
介电性和热释电性作为铁电薄膜两个十分重要的基本性质,在制备储能电容器、波导、信息存贮器以热释电探测器等方面都有很重要的实际应用价值。近年来关于铁电薄膜和以铁电材料为组分的人工复合薄膜的飞速发展又掀起了新的研究热潮。但是随之而来的一些复杂问题也亟待解决,比如薄膜所使用电极的材料,铁电薄膜的表面效应以及人工复合薄膜内部的异质结构界面问题,都对铁电薄膜的性质有重要的影响。这些因素常常影响薄膜的行为,这些影响或是能够抑制铁电薄膜的性能,或是有可以被利用的价值。那么如何控制影响薄膜性能的因素以及如何能够更合理的利用某些因素,都涉及到制备和使用过程中的许多实际问题,但是关于这方面的理论研究报道并不多见。本论文正是在这样的应用背景下,针对电极和结构过渡层对铁电薄膜的介电性质和热释电性质的影响开展了细致深入的理论研究,以期为实际应用提供一定的理论参考依据。
关于铁电相变的理论,近年来国际高端研究中所广泛采用的理论方法方法主要有以下三种: GLD唯象理论,软模理论以及第一性原理计算。其中软模理论在处理有序-无序系统中的主要模型为横场Ising模型。本论文中采用了宏观的GLD唯象理论并加以推广,研究了半导体电极以及金属电极间的铁电薄膜和人工复合铁电薄膜的性质,采用微观的横场Ising模型理论研究含有了表面过渡层的铁电薄膜的表面效应问题。论文将两种方法所研究的相应内容作以比较,取得了定性上相一致的结论,进一步证明了文中所建立的理论模型以及研究方法的合理性和可靠性。
本论文重点研究了电极和薄膜内部结构过渡层对于体系介电及热释电性质的影响。研究表明半导体电极作为非理想导体电极,由于其内部没有足够的电荷能够屏蔽薄膜表面束缚电荷形成的退极化效应,将对体系的性质造成很大影响,它降低了体系的极化强度和相变温度,但提高了铁电薄膜的极化率和热释电系数。薄膜表面存在的结构过渡层以及人工复合薄膜内部的异质结构界面效应导致的结构过渡层,都属于铁电薄膜内部原生的结构过渡区,这种原生的结构过渡区可以导致薄膜的相变温度高于或低于体材料的相变温度,改善铁电薄膜的介电性质和热释电性质。非理想导体电极(本论文中为半导体电极)和结构过渡层这两个因素都是影响铁电薄膜的非理想因素,它们对于体系的性质有某些相似的影响。在用TIM模型研究中,我们发展了文献中经常采用的单阶梯式过渡层模型为渐变的多阶梯式过渡层模型,更加真实的反映了薄膜的实际结构,这也是本文重要的创新点之一。
本论文采用宏观和微观两种理论方法,针对电极和结构过渡层对于铁电薄膜的介电和热释电性质的影响进行了深入的研究,其中取得的很多理论结果与实验数据基本吻合,很好地解释了实验现象,并提出了进一步的理论预测,对制备高比容电容器材料及高性能热释电材料的研究和应用提供了重要的理论依据,在理论上和实验上都具有重要的指导意义。
As two important basic properties of ferroelectric thin film, dielectricity and pyroelectricity have great applicable value on storage capacitor, waveguide, information storage unit and pyroelectric detector. Recent these years, development on ferroelectric thin film and artificial component composite ferroelectric thin film have arised new research upsurge. At the same time, some complex problems appeared to be solved, such as, electrode materials, surface effect and interface of the heterogengeity structure, which have great influence on film properties. These factors can depress the film properties or can be used. How to better control and use these factors has related to many practical problems, but there is little research about these problems. Under such background, research on the influence of electrode and structural transition layers on the dielectric and pyroelectric properties of ferroelectric thin film has been carried out, which can offer some theoretical reference for application.
The GLD theory, soft mode theory and first principle calculation are three methods often used to investigate the ferroelectric phase transition at international research. Transverse Ising model is the main method to deal with ferroelectrics of order-disorder type. The developed GLD theory is used to investigate the films coated with metal or semiconducting electrodes and properties of component composite ferroelectric thin film. Transverse Ising model is used to investigate the surface effect of films with surface transition layers. The corresponding results calculated from the two methods can draw the same conclusions qualitatively, which can prove the rationality and reliability of our model and method used.
Influence of electrode and structural transition layers on the dielectric and pyroelectric properties of ferroelectric thin films is investigated. The results show that the semiconducting electrodes cannot screen the surface depolarization effect, which can decrese the polarization and phase transition temperature, but improve the dielectric susceptibility and pyroelectric coefficient. Structural transition layers in film surface and structural transition layers leading by interface effect are Proterozoic, which can make the film phase transition temperature higher or lower than the bulk value, and improve the dielectric and pyroelectric properties. Imperfect conducting electrodes and structural transition layers have some similar influence on film properties. In the research from TIM theory, the tranditional single step model is developed to a multi-step model, which reflects a more realistic situation of film structure, and it is an important innovation in this dissertation.
Influence of electrodes and structural transition layers on dielectric and pyroelectric properties of ferroelectric thin films have been deeply investigated from both macrocopic and microscopic level. Many theoretical results in our dissertation have accordance with experimental data and can give a reasonable description of the experiment facts reported in the literature. Our work has laid the theoretical foundation for the preparing of capacitor and pyroelectric materials with good properties, which has great significance on both theory and practice.
关于铁电相变的理论,近年来国际高端研究中所广泛采用的理论方法方法主要有以下三种: GLD唯象理论,软模理论以及第一性原理计算。其中软模理论在处理有序-无序系统中的主要模型为横场Ising模型。本论文中采用了宏观的GLD唯象理论并加以推广,研究了半导体电极以及金属电极间的铁电薄膜和人工复合铁电薄膜的性质,采用微观的横场Ising模型理论研究含有了表面过渡层的铁电薄膜的表面效应问题。论文将两种方法所研究的相应内容作以比较,取得了定性上相一致的结论,进一步证明了文中所建立的理论模型以及研究方法的合理性和可靠性。
本论文重点研究了电极和薄膜内部结构过渡层对于体系介电及热释电性质的影响。研究表明半导体电极作为非理想导体电极,由于其内部没有足够的电荷能够屏蔽薄膜表面束缚电荷形成的退极化效应,将对体系的性质造成很大影响,它降低了体系的极化强度和相变温度,但提高了铁电薄膜的极化率和热释电系数。薄膜表面存在的结构过渡层以及人工复合薄膜内部的异质结构界面效应导致的结构过渡层,都属于铁电薄膜内部原生的结构过渡区,这种原生的结构过渡区可以导致薄膜的相变温度高于或低于体材料的相变温度,改善铁电薄膜的介电性质和热释电性质。非理想导体电极(本论文中为半导体电极)和结构过渡层这两个因素都是影响铁电薄膜的非理想因素,它们对于体系的性质有某些相似的影响。在用TIM模型研究中,我们发展了文献中经常采用的单阶梯式过渡层模型为渐变的多阶梯式过渡层模型,更加真实的反映了薄膜的实际结构,这也是本文重要的创新点之一。
本论文采用宏观和微观两种理论方法,针对电极和结构过渡层对于铁电薄膜的介电和热释电性质的影响进行了深入的研究,其中取得的很多理论结果与实验数据基本吻合,很好地解释了实验现象,并提出了进一步的理论预测,对制备高比容电容器材料及高性能热释电材料的研究和应用提供了重要的理论依据,在理论上和实验上都具有重要的指导意义。
As two important basic properties of ferroelectric thin film, dielectricity and pyroelectricity have great applicable value on storage capacitor, waveguide, information storage unit and pyroelectric detector. Recent these years, development on ferroelectric thin film and artificial component composite ferroelectric thin film have arised new research upsurge. At the same time, some complex problems appeared to be solved, such as, electrode materials, surface effect and interface of the heterogengeity structure, which have great influence on film properties. These factors can depress the film properties or can be used. How to better control and use these factors has related to many practical problems, but there is little research about these problems. Under such background, research on the influence of electrode and structural transition layers on the dielectric and pyroelectric properties of ferroelectric thin film has been carried out, which can offer some theoretical reference for application.
The GLD theory, soft mode theory and first principle calculation are three methods often used to investigate the ferroelectric phase transition at international research. Transverse Ising model is the main method to deal with ferroelectrics of order-disorder type. The developed GLD theory is used to investigate the films coated with metal or semiconducting electrodes and properties of component composite ferroelectric thin film. Transverse Ising model is used to investigate the surface effect of films with surface transition layers. The corresponding results calculated from the two methods can draw the same conclusions qualitatively, which can prove the rationality and reliability of our model and method used.
Influence of electrode and structural transition layers on the dielectric and pyroelectric properties of ferroelectric thin films is investigated. The results show that the semiconducting electrodes cannot screen the surface depolarization effect, which can decrese the polarization and phase transition temperature, but improve the dielectric susceptibility and pyroelectric coefficient. Structural transition layers in film surface and structural transition layers leading by interface effect are Proterozoic, which can make the film phase transition temperature higher or lower than the bulk value, and improve the dielectric and pyroelectric properties. Imperfect conducting electrodes and structural transition layers have some similar influence on film properties. In the research from TIM theory, the tranditional single step model is developed to a multi-step model, which reflects a more realistic situation of film structure, and it is an important innovation in this dissertation.
Influence of electrodes and structural transition layers on dielectric and pyroelectric properties of ferroelectric thin films have been deeply investigated from both macrocopic and microscopic level. Many theoretical results in our dissertation have accordance with experimental data and can give a reasonable description of the experiment facts reported in the literature. Our work has laid the theoretical foundation for the preparing of capacitor and pyroelectric materials with good properties, which has great significance on both theory and practice.
引文
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