脉冲激光淀积BaTiO3薄膜的介电与铁电特性

用脉冲激光淀积方法在SrTiO₃衬底上制备了BaTiO₃/YBa₂Cu₃O_7-δ（铁电/超导）双层膜，X射线分析表明BaTiO₃薄膜是高度c取向的．对BaTiO₃薄膜的介电和铁电性能进行了实验研究．观察到铁电薄膜特有的电滞线和蝶型C-V曲线，薄膜呈现出较好的铁电性，在铁电随机存储等领域有重要的应用前景 关键词：     

应力作用下EuTiO3铁电薄膜电热效应的唯象理论研究

基于Laudau-Devonshire的热动力学模型, 计算了EuTiO₃铁电薄膜材料的电热效应. 结果显示在外加应力的调控下, 电极化、电热系数以及绝热温差都会随之变化. 外加垂直于表面的张应力加大, 薄膜的相变温度升高, 绝热温差增加, 最大绝热温差所对应的工作温度向高温区移动. 对于二维平面失配应变u_m =-0.005的薄膜, 当外加张应力σ₃ = 5 GPa时, 其最大电热系数为1.75×10^-3 C/m²·K, 电场变化200 MV/m 时室温下绝热温差ΔT 的最大值可达到14 K 以上, 绝热温差ΔT ≥13 K 的工作温区超过120 K, 表明可以通过调控外部应力来获取室温时较大的绝热温差. 此结果预示着铁电EuTiO₃ 薄膜在室温固态制冷方面可能具有较好的应用前景.     

外延铁电薄膜相变温度的尺寸效应

考虑外延钙钛矿型铁电薄膜内的等效应力、表面晶格变化和表面电荷引起的退极化效应等机电耦合边界条件,利用铁电薄膜系统的动态金茨堡-朗道方程(DGL),系统分析和讨论了外延铁电薄膜相变温度与临界相变厚度的尺寸效应.结果表明,铁电薄膜相变温度与临界相变厚度完全依赖于各种与薄膜厚度相关的力电耦合边界条件.也给出了BaTiO₃外延铁电薄膜相变温度在各种边界条件下随厚度的变化,从结果看出,本文的分析与结论更符合实验数据. 关键词： 尺寸效应 外延铁电薄膜 相变温度 力电耦合边界     

氧空位缺陷对PbTiO_3铁电薄膜漏电流的调控

基于非平衡格林函数及密度泛函理论第一性原理计算方法,计算了Fe, Al, V和Cu四种阳离子掺杂对氧空位缺陷引起的PbTiO_3铁电薄膜漏电流的调控.研究表明:Fe和Al离子掺杂将会增大由其中氧空位缺陷导致的铁电薄膜的漏电流,而Cu和V离子掺杂对该漏电流的大小具有明显抑制作用.这是因为Cu和V掺杂对氧空位缺陷有明显的钉扎作用.相比于半径更大的Cu离子,由于V的离子半径更小,且更接近于PbTiO_3铁电薄膜中Ti的离子半径,可以预言V离子更可能被掺杂进入薄膜,从而抑制氧空位缺陷引起的漏电流.研究结果对铁电薄膜器件的电学性能控制和优化有一定的理论指导意义.     

改性锆钛酸铅温度诱导相变的热释电性

测量结果显示,Pb_0.99Nb_0.02［(Zr_1-xSn_x)_1-yTi_y］_0.98O₃在温度诱导相变时伴随有正的和负的热释电电流峰.电流的方向与相变类型有如下关系：铁电相向反铁电或顺电相转变时形成正的电流峰,反铁电相向铁电或顺电相转变时形成负的电流峰.按照铁电相与反铁电和顺电相之间存在静电势差的观点,可以很好地解释热释电电流的方向与 关键词： 改性锆钛酸铅化合物 温度诱导相变 热释电性     

外加电场对铁电薄膜相变的影响

采用热力学非线性理论,研究了外加电场对立方基底Pb(Zr_0.3Ti_0.7)O₃(PZT)铁电薄膜相变的影响.通过数值计算,得到了"失配应变-外加电场"相图,及外加电场与极化强度的关系.当外加电场达到186 kV/cm时,能使生长在SrTiO₃ 基底上PZT铁电薄膜从单斜r相转变为c相.在实验上,采用扫描探针显微镜通过对PZT薄膜施加不同的极化电场来研究了它的电畴翻转.从得到的压电响应相图可以看出,绝大多数的电畴是清晰可 关键词： 铁电薄膜 相变 扫描探针显微镜 失配应变     

BiFeO3中各离子在铁电相变中作用本质的第一性原理研究

采用基于密度泛函理论的广义梯度近似方法和赝势平面波法,对多铁材料BiFeO₃的铁电反铁磁相和可能的高温顺电相的电子结构进行了第一性原理研究.计算验证了BiFeO₃基态为G型反铁磁有序,Fe离子的理论磁矩与实验值相符.铁电相变发生后,Bi-6s态和6p态发生了电荷转移,Bi-6s电子的作用更加明显.Born有效电荷的研究表明铁电畸变主要表现为Bi原子的位移,并且电极化强度计算值很好地符合薄膜实验结果.部分态密度的计算表明Bi-6p态的成键轨道与反键轨道间的能量劈裂 关键词： 第一性原理 铁电性 铁电畸变 反铁磁性     

用横场伊辛模型研究应力对铁电薄膜的热力学性质的影响

用横场伊辛模型研究了铁电薄膜的热力学性质.在体系的哈密顿量中引入一个两维的在平面内的应力，并假设应力从基底材料和薄膜材料之间的界面层到薄膜的表面层是呈指数形式衰减的.结果显示：压应力有利于极化，使居里温度向高温区移动，而张应力对极化和居里温度的影响正好相反.扩散长度对铁电薄膜的热力学性质有很大的影响. 关键词： 铁电薄膜 应力 横场伊辛模型     

电离辐射环境下金属-铁电-绝缘体-基底结构铁电场效应晶体管电学性能的模拟

本文利用改进的米勒模型模拟了金属-铁电-绝缘体-基底结构铁电场效应晶体管在电离辐射环境下的铁电薄膜极化、界面电荷密度和电荷迁移率,最终得出在不同辐射总剂量和辐射剂量率下,铁电场效应晶体管的电容和漏源电流曲线. 计算结果表明,总剂量为10 Mrad时,对铁电场效应晶体管的漏源电流和电容影响甚微;总剂量为100 Mrad (1 rad = 10² Gy)时,对其有很明显的影响. 当辐射的剂量率发生变化时,铁电场效应晶体管的电流和电容也会发生改变. 模拟结果表明,铁电场效应晶体管有较强的抗辐射能力. 关键词： 总剂量 剂量率 电容 漏源电流     

0.7BiFeO3-0.3BaTiO3陶瓷中极化翻转产生的巨电卡效应增加及Mn4+离子掺杂对其介电、铁电性能的影响

BiFeO₃ (BFO)作为反铁磁性和铁电性共存的多铁性材料,其饱和极化强度理论值大于100μC/cm²,居里温度为830℃,具有较强的电卡效应.但是由于BFO高温烧结过程中Bi₂O₃易挥发,铁离子易变价,导致BFO中缺陷较多,漏电流较大,其铁电特性难以发挥出来.虽然采用与BaTiO₃ (BTO)等氧化物铁电体形成固溶体的方法可以减小漏电流,但是漏电流和高介电损耗问题仍然存在.本文试图通过添加锰离子到BFO-BTO固溶体的方法解决这一问题.采用传统的高温固相反应法制备了0.7BiFeO₃-0.3BaTiO₃+x%MnO₂ (BFO-BTO+x%MnO₂,其中x%为质量分数)陶瓷,研究了MnO₂掺杂对BFO-BTO固溶体的微观结构、介电和铁电性能的影响.值得注意的是, BFO-BTO+x%MnO₂样品测试结果证明少量掺杂MnO₂...     

Effects of BaTiO<Subscript>3</Subscript> and SrTiO<Subscript>3</Subscript> as the buffer layers of epitaxial BiFeO<Subscript>3</Subscript> thin films

BiFeO₃ (BFO) thin films with BaTiO₃ (BTO) or SrTiO₃ (STO) as buffer layer were epitaxially grown on SrRuO₃-covered SrTiO₃ substrates. X-ray diffraction measurements show that the BTO buffer causes tensile strain in the BFO films, whereas the STO buffer causes compressive strain. Different ferroelectric domain structures caused by these two strain statuses are revealed by piezoelectric force microscopy. Electrical and magnetical measurements show that the tensile-strained BFO/BTO samples have reduced leakage current and large ferroelectric polarization and magnetization, compared with compressively strained BFO/STO. These results demonstrate that the electrical and magnetical properties of BFO thin films can be artificially modified by using a buffer layer.     

Thickness dependent magnetic and ferroelectric properties of LaNiO3 buffered BiFeO3 thin films

BiFeO₃ (BFO) thin films with thickness increasing from 40 to 480 nm were successfully grown on LaNiO₃ (LNO) buffered Pt/Ti/SiO₂/Si(100) substrate and the effects of thickness evolution on magnetic and ferroelectric properties are investigated. The LNO buffer layer promotes the growth and crystallization of BFO thin films. Highly (100) orientation is induced for all BFO films regardless of the film thickness together with the dense microstructure. All BFO films exhibited weak ferromagnetic response at room temperature and saturation magnetization is found to decrease with increase in film thickness. Well saturated ferroelectric hysteresis loops were obtained for thicker films; however, the leakage current dominated the ferroelectric properties in thinner films. The leakage current density decreased by three orders of magnitude for 335 nm film compared to 40 nm film, giving rise to enhanced ferroelectric properties for thicker films. The mechanisms for the evolution of ferromagnetic and ferroelectric characteristics are discussed.     

Study on the properties of Pb(Zr,Ti)O3 thin films grown alternately by pulsed laser deposition and sol-gel method

In order to prepare good quality Pb(Zr,Ti)O₃ (PZT) thin films, we consider the method of alternately growing PZT thin films on Pt (111)/Ti/SiO₂/Si (100) substrates by pulsed laser deposition (PLD) and sol-gel. In this work, we conducted comparative experiments on different film preparation methods, and 1.0 um thick PZT film was grown on platinized silicon wafers by an alternate PLD and sol-gel method. The microstructure and electrical properties of the films is analyzed. Through the study of X-ray diffraction, SEM, AFM, PFM, and ferroelectric testing, it is found that the alternating growth of a film by the alternate PLD and sol-gel method has good compactness, excellent ferroelectric properties, and smaller leakage current compared to film prepared by the sol-gel method alone.     

Downward self‐polarization of lead‐free (K0.5Na0.5)(Mn0.005Nb0.995)O3 ferroelectric thin films on Nb:SrTiO3 substrate

Spontaneously appearing macroscopic polarization (self‐polarization) in ferroelectrics without an electrode or an external electric field would enable the freedom to design many ferroelectric heterostructures and devices. The (K_0.5Na_0.5)(Mn_0.005Nb_0.995)O₃ (KNMN) thin film was grown on Nb:SrTiO₃ single‐crystal substrate and the resultant self‐polarization behavior due to strain relaxation was investigated. The lattice mismatch and difference in TEC between the KNMN thin film and the Nb:SrTiO₃ substrate creates a compressive strain. The compressive strain gradient may be the main cause for the observed downward self‐polarization. The downward self‐polarization of the KNMN thin film can be explained by the strong inhomogeneous compressive strain caused by strain relaxation. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Effects of Mn doping on BaTiO3 thin films grown on highly oriented pyrolytic graphite substrates

We report multiferroelectric properties of Mn-doped BaTiO₃ (MBTO) thin films on highly oriented pyrolytic graphite (HOPG) substrates. The MBTO thin films were grown on the HOPG substrate by pulse laser deposition. For comparison purpose, undoped BaTiO₃ (BTO) thin films were also prepared under same experimental conditions. The BTO and MBTO thin films were polycrystalline, indicating that the MBTO thin film has better crystallinity than the BTO thin film. The leakage current of the MBTO thin film was reduced due to the Mn doping substitution. In addition, the MBTO thin film exhibited better than the BTO thin film in ferroelectric and magnetic behaviors. We suggest that the Mn doping bring about the improvements of ferroelectric and ferromagnetic properties of the BTO thin films. Based on atomic force microscopy (AFM) and conducting AFM (CAFM) studies, the grain size of MBTO thin film was much larger than that of BTO thin film.     

Effects of oxygen partial pressure on the ferroelectric properties of pulsed laser deposited Ba0.8Sr0.2TiO3 thin films

The Ba_0.8Sr_0.2TiO₃ thin films were grown on the Pt–Si substrate at 700 °C by using a pulsed laser deposition technique at different oxygen partial pressure (PO₂) in the range of 1–20 Pa and their properties were investigated. It is observed that the PO₂ during the deposition plays an important role on the tetragonal distortion ratio, surface morphology, dielectric permittivity, ferroelectric polarization, switching response, and leakage currents of the films. With an increase in PO₂, the in-plane strain for the BST films changes from tensile to compressive. The films grown at 7.5 Pa show the optimum dielectric and ferroelectric properties and also exhibit the good polarization stability. It is assumed that a reasonable compressive strain, increasing the ionic displacement, and thus promotes the in-plane polarization in the field direction, could improve the dielectric permittivity. The butterfly features of the capacitance–voltage (C–V) characteristics and the bell shape curve in polarization current were attributed to the domain reversal process. The effect of pulse amplitude on the polarization reversal behavior of the BST films grown at PO₂ of 7.5 Pa was studied. The peak value of the polarization current shows exponential dependence on the electric field.     

Effect of misfit strain on the electrocaloric effect of P(VDF-TrFE) copolymer thin films

Based on the phenomenological Landau-Devonshire theory, we investigate the effect of misfit strain on the electrocaloric effect of P(VDF-TrFE) copolymer thin films. Theoretical analysis indicates that the compressive misfit strain reduces the working temperature to a great extent where the electrocaloric effect is maximized, which is different from the result of the conventional ferroelectric thin films, such as BaTiO₃. Although the compressive or tensile misfit strain does not change the maximum of the electrocaloric coefficient, the compressive misfit strain decreases the maximum of the adiabatic temperature change and the tensile misfit strain results in the opposite effect. Consequently, control of the misfit strain provides potential means to vary the working temperature for use in cooling systems.     

Film thickness dependence of electro-optic effect in epitaxial BaTiO3 thin films

Based on the phenomenological Landau-Devonshire theory, we investigate the film thickness dependence of ferroelectric and electro-optic properties of epitaxial BaTiO₃ thin films grown on SrTiO₃ and MgO substrates. By using the effective substrate lattice parameter concept, the film thickness dependence of misfit strain is incorporated into the theory. Therefore, the film thickness dependence of ferroelectric and electro-optic properties in epitaxial BaTiO₃ thin films can be explained. Moreover, a large quadratic electro-optic effect was obtained in the BaTiO₃ thin films, which is in good agreement with the experimental result of BaTiO₃ thin films on the MgO substrate.     

Strain effect on the electronic properties of 1T-HfS2 monolayer

We perform first-principles based on the density function theory to investigate electronic and magnetic properties of 1T-HfS₂ monolayer with biaxial tensile strain and compressive strain. The results show that HfS₂ monolayer under strains doesn’t display magnetic properties. When the strain is 0%, the HfS₂ monolayer presents an indirect band gap semiconductor with the band gap is about 1.252 eV. The band gap of HfS₂ monolayer decreases quickly with increasing compressive strain and comes to zero when the compressive strain is above −7%, the HfS₂ monolayer system turns from semiconductor to metal. While the band gap increases slowly with increasing tensile strain and comes to 1.814 eV when the tensile strain is 10%. By comparison, we find that the compressive strain is more effective in band engineering of pristine 1T-HfS₂ monolayer than the tensile strain. And we notice that the extent of band gap variation is different under tensile strain. The change of band gap with strain from 1% to 5% is faster than that of the strain 6–10%. To speak of, the conduction band minimum (CBM) is all located at M point with different strains. While the valence band maximum (VBM) turns from Γ point to K point when the strain is equal to and more than 6%.