铁电薄膜漏电流的应变调控

基于密度泛函理论的第一性原理并结合非平衡格林函数, 探讨了应变对 BaTiO₃ 铁电薄膜漏电流的影响规律.研究表明,压应变能有效地抑制BaTiO₃ 铁电薄膜漏电流, 特别是当压应变为4%时,其漏电流相对无应变状态降低了近10 倍.通过考察体系的透射系数和电子态密度发现: 一方面压应变状态下铁电隧道结的透射几率要比张应变时小,特别是在费米面附近;另一方面随着张应变过渡至压应变时,价带的位置逐渐向低能区移动而导带向高能区移动,导致了其带隙的增大, 从而有效抑制了漏电流. 本研究为寻找抑制铁电薄膜漏电流,提高铁电薄膜及铁电存储器的性能提供合适的方法. 关键词： 铁电薄膜 双轴应变 漏电流 第一性原理     

横场-伊辛模型中BaTiO3的铁电行为

采用横场-伊辛模型描述了BaTiO₃中量子效应对铁电行为可能的贡献.计算显示量子效应可以明显地减少铁电体的自发极化.模型给出的理论结果与BaTiO₃的介电及极化实验结果符合较好. 关键词： 铁电性 量子效应 3')" href="#">BaTiO₃     

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     

Landau-Devonshire理论探究不同类型铁电材料的电卡效应

近年来,低成本、高效、环保的电卡效应制冷材料得到了广泛研究,其中包括无机钙钛矿、有机钙钛矿、有机聚合物、分子铁电材料和二维铁电材料等.这些不同铁电材料的相变类型和电卡性能各异,而造成其差异的物理起源尚不明确.本文选择传统无机钙钛矿BaTiO₃, PbTiO₃和BiFeO₃,有机钙钛矿[MDABCO](NH₄)I₃,有机聚合物P(VDF-TrFE),分子铁电体ImClO₄和二维铁电体CuInP₂S₆这七种材料,利用Landau-Devonshire理论,研究并对比了其温变、熵变和电卡强度.通过分析自由能与极化之间的关系发现,在相变点附近,铁电材料的自由能势垒高度随温度的变化率越大,造成的极化随温度的变化率越高,而材料的电卡性能也越优异.本文揭示了不同类型铁电材料电卡性能差异的物理起源,为进一步开发具有高电卡性能的铁电材料提供理论指导.     

激光分子束外延BaTiO3薄膜最顶层表面原子平面与薄膜生长机理

用激光分子束外延技术在SrTiO₃(001)衬底上外延生长了高质量的BaTiO_{3< /sub>薄膜,薄膜的生长过程由反射式高能电子衍射仪(RHEED)原位实时监测,表明薄膜具有 二维层状生长模式.薄膜的晶体结构和表面形貌分别由X射线衍射和原子力显微镜表征,显示 该薄膜为完全c轴取向四方相晶体结构,其表面具有原子尺度光滑性.采用角分辨X射线光电 子谱技术(ARXPS),研究了BaTiO3薄膜表面最顶层原子种类和排列状况.结果表 明,BaTiO3 关键词： 激光分子束外延 3薄膜')" href="#">氧化物BaTiO3薄膜 最顶层表面 角分辨X射线光电子谱}     

金属纳米团簇复合薄膜Au/BaTiO3与Fe/BaTiO3的PLD制备及其光吸收特征

用脉冲激光沉积技术制备了掺杂纳米金属颗粒Au或Fe的BaTiO₃复合薄膜.用透射电子显微镜和x射线光电子能谱表征了金属颗粒的形态和化学态.330—800nm范围的吸收谱研究表明，掺Au颗粒的BaTiO₃薄膜在580nm附近有一个明显的共振吸收峰，而掺Fe颗粒的BaTiO₃薄膜没有这样的吸收峰.用Mie散射理论对结果进行了分析. 关键词： 复合薄膜 金属颗粒 脉冲激光沉积 吸收谱     

Co:BaTiO3/Si(100)纳米复合薄膜制备、微结构及其紫外光电子能谱研究

采用脉冲激光气相沉积(PLD)方法,在Si(100)晶面上制备了Co:BaTiO₃纳米复合薄膜.采用X射线衍射(XRD)结合透射电镜(TEM)方法研究了两种厚度Co:BaTiO₃纳米复合薄膜的晶体结构,当薄膜厚度约为30 nm时,薄膜为单一择优取向;当薄膜厚度约为100nm时,薄膜呈多晶结构.原子力显微镜(AFM)分析表明,当膜厚为30nm时,薄膜呈现明显的方形晶粒.采用紫外光电子能谱(UPS)研究了Co的价态和Co:BaTiO₃纳米复合薄 关键词： 3')" href="#">BaTiO₃ 纳米复合薄膜 紫外光电子能谱     

用于铁电体复杂畴结构模拟的布朗方程

铁电材料在室温下具有可以在外加电场作用下改变方向的自发极化,不同方向的极化在材料内部形成畴结构,会对其物理特性和实际应用具有显著影响.本文将最初用于微磁模拟的布朗方程引入铁电材料的大尺度模拟中,研究其中可能出现的重要畴结构.在以有效哈密顿量方法为基础推导出铁电材料中关于电偶极子的布朗方程后,以BaTiO₃,PbTiO₃块体和SrTiO₃/PbTiO₃/SrTiO₃夹心结构等钙钛矿铁电材料为研究对象,验证了布朗方程的有效性并讨论了其中的多种畴结构,如周期性条带状畴、涡旋型拓扑畴结构等,并与相关实验结果进行了对比分析.     

BaTiO3/p-Si异质结的整流特性和光诱导特性的研究

利用脉冲激光沉积法成功制备了BaTiO₃/p-Si异质结, 该异质结在80–300 K 显示出了良好的整流特性和光诱导特性. 开启电压随着温度的升高而逐渐降低. 利用不同频率的光子辐照样品, 观察到明显的光电导效应. 且随着照射光子能量的增大, 结电流也相应变大, 光诱导效应越明显. BaTiO₃薄膜电阻-温度(R-T) 曲线显示氧缺陷条件下BaTiO₃薄膜具有良好的半导体特性. 关键词： 异质结 光诱导效应 3薄膜')" href="#">BaTiO₃薄膜     

光折变晶体Ce:BaTiO3电光和压电系数的测量

用干涉仪的方法测量了Ce:BaTiO₃晶体的低频电光系数和压电系数．排除压电效应对光通过晶体引起相位的变化，得到低频下经极化的Ce:BaTiO₃单晶的电光系数r₄₂=1945±220pm/V和r₁₃=11.8±1pm/V．从而，为研究Ce:BaTiO₃晶体的光折变效应和理论计算提供了精确的线性电光系数 关键词：     

Structure-related infrared optical properties of BaTiO3 thin films grown on Pt/Ti/SiO2/Si substrates

BaTiO₃ thin films with different thickness have been grown on Pt/Ti/SiO₂/Si substrates by a modified sol-gel method. X-ray diffraction analyses show that the BaTiO₃ thin films are polycrystalline. The crystalline quality of the films is improved with increasing thickness. The infrared optical properties of the BaTiO₃ thin films have been investigated using an infrared spectroscopic ellipsometry in the wave number range of 800-4000 cm⁻¹ (2.5-12.5 μm). By fitting the measured pseudodielectric functions with a three-phase model (Air/BaTiO₃/Pt), and a derived classical dispersion relation for the thin films, the optical constants and thicknesses of the thin films have been simultaneously obtained. The refractive index of the BaTiO₃ thin films increases and on the other hand, the extinction coefficient does not change with increasing thickness in the entirely measured wave number range. The dependence of the refractive index on the film thickness has been discussed in detail and was mainly due to both the crystalline quality of the films and packing density. Finally, the absorption coefficient was calculated in the infrared region for applications in the pyroelectric IR detectors.     

Co:BaTiO3/Si(100)纳米复合薄膜制备、微结构及其紫外光电子能谱研究

采用脉冲激光气相沉积(PLD)方法，在Si(100)晶面上制备了Co:BaTiO₃纳米复合薄膜.采用X射线衍射(XRD)结合透射电镜(TEM)方法研究了两种厚度Co:BaTiO₃纳米复合薄膜的晶体结构，当薄膜厚度约为30 nm时，薄膜为单一择优取向；当薄膜厚度约为100nm时，薄膜呈多晶结构.原子力显微镜(AFM)分析表明，当膜厚为30nm时，薄膜呈现明显的方形晶粒.采用紫外光电子能谱(UPS)研究了Co的价态和Co:BaTiO₃纳米复合薄     

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.     

Effect of microstructure of MgO buffer layer on BaTiO3 grown on silicon substrates

MgO ultrathin films were grown on Si(1 0 0) substrates as buffer layers for the growth of ferroelectric BaTiO₃ thin films by laser molecular beam epitaxy (L-MBE). The deposition process of MgO buffer layers grown on silicon was in situ monitored by reflection high-energy electron diffraction (RHEED). The structure of BaTiO₃ films fabricated on MgO buffers was investigated by X-ray diffraction. Biaxially textured MgO was obtained at high laser energy density, but when the laser energy was lowered, MgO buffer was transformed to the form of texture with angular dispersion with the increase of the film thickness. BaTiO₃ films grown on the former buffer were completely (0 0 1) textured, while those on the latter were (0 0 1) preferred orientated. Furthermore, the fabricated MgO buffers and BaTiO₃ films had atomically smooth surface and interface. All these can reveal that the quality of textured MgO buffer is a key factor for the growth of BaTiO₃ films on silicon.     

Structure and electrical properties of trilayered BaTiO3/(Na0.5Bi0.5)TiO3–BaTiO3/BaTiO3 thin films deposited on Si substrate

Highly (110)-oriented trilayered BaTiO₃ (25 nm) /(Na_0.5Bi_0.5)_0.94Ba_0.06TiO₃ (300 nm) / BaTiO₃ (25 nm) thin films were deposited on Pt/Ti/SiO₂/Si substrates via chemical solution deposition. It was found that the inserted bottom BaTiO₃ layer between Pt and (Na_0.5Bi_0.5)_0.94Ba_0.06TiO₃ is very effective for promoting the crystallinity and (110)-oriented growth of NBT-BT films. Meanwhile, the BaTiO₃ layers also provide better interfaces between the ferroelectric thin film and the electrodes in terms of reducing leakage current. The trilayered films showed enhanced dielectric and ferroelectric properties compared with the pure NBT-BT films. Well saturated hysteresis loops were obtained due to good electrical insulating properties in the high electric field region.     

The coexistence of ferroelectricity and ferromagnetism in Mn-doped BaTiO3 thin films

Due to the fault of the first author, this article entitled “The coexistence of ferroelectricity and ferromagnetism in Mn-doped BaTiO3 thin films”, published in “Chinese Physics B”, 2011,Vol.20, Issue 12, Article No. 127701, has been found to copy from the article entitled“Decisive role of oxygen vacancy in ferroelectric versus ferromagnetic Mn-doped BaTiO3 thin films”, published in “Journal of Applied Physics”, 2011,Vol.109, Issue 8, article No. 084105. So the above article in “Chinese Physics B” has been withdrawn from the publication.<     

Study of the ferroelectric properties of BaTiO3 films grown on an iron sublayer using atomic force microscopy

The article demonstrates the feasibility of the formation of ultra-thin (2?C15 nm) BaTiO@3 ferroelectric films on an Fe sublayer by pulsed laser deposition. The measured data obtained by piezoresponse force microscopy evidence that the grown BaTiO₃ films are a functional ferroelectric material and possess high polarization stability. An efficient piezomodule for BaTiO₃ layers of various thicknesses is 8?C10 pm/V.     

Dielectric and ferroelectric properties of pulsed-laser deposited BaTiO3 films

3 films were produced by KrF excimer-laser ablation. Films deposited on fused silica substrates were polycrystalline without preferential orientation and had cubic rather than tetragonal structure. BaTiO₃/Au/Ti/fused silica films showed a large dielectric constant, which increased with the thickness of the film, but poor ferroelectric properties. This behavior seems to be related to the small size of grains. On (100)MgO substrates oriented films were obtained. BaTiO₃/YBa₂Cu₃O_7-δ/(100)MgO films showed a large dielectric constant also and improved ferroelectric properties. Although this indicates a larger degree of tetragonality, the tetragonal structure of single crystal BaTiO₃ has not yet developed. Localized reduction and metallization of BaTiO₃/(100)MgO films by means of Ar⁺-laser radiation was demonstrated. This technique allows to produce conducting patterns in a single-s tep process. Received: 6 January 1997/Accepted: 21 April 1997