直流偏置电场下BaTiO３基陶瓷介电常数非线性机理的研究

采用传统固相法制备了Ba_0.6Sr_0.4TiO_３(BST)和BaZr< sub>xTi_１-xO_３(x=0.25，0.3，0.35，0.4)（ＢＺＴ）陶瓷 ，并对其在直流偏置电场下的介电常数非线性行为进行了系统、详细的研究.结果表明，基 于Devonshire的宏观相变理论(phenomenological theory)提出的公式ε_r(app) ε_r(0)=1［1+αε^{３_{r(0)E２ ］1/3和ε(E)=ε1－ε2E2+ε3E4，均可定量地解释BST体系顺电相的介电常数非线性行为，其中εr (app)表示材料在电场下的介电常数，εr(0)表示不加电场即静态下材料 的介电常数，α是非谐性因子，E表示电场强度，ε(E)表示材料在电场下的介电常数，ε１，ε２，ε３分别表示线性、非线性和高阶介电常数. 而对于处于铁电相和居里温度附近的BST体系，则需要考虑铁电畴对介电常数非线性的贡献 ，这种贡献随着外加直流偏置电场强度的增大逐步减小.对于弛豫铁电体BZT体系，即使处于 顺电相，也必须考虑由极性微区的冻结与合并引起的介电常数的下降，极性微区对介电常数 非线性的贡献随着电场强度和温度的上升而有所下降. 关键词： BST x}Ti_１-xO_３')" href="#">BaZr_xTi_１-xO_３ 可调性 介电 常数非线性 直流偏置电场}     

光折变晶体KTa0.5Nb0.5O3光学特性的第一性原理研究

用全电势线性缀加平面波法(FLAPW)计算了KTa0.5Nb0.5O3四方相和立方相 的光学特性，即介电函数虚部ε２(ω)、光学吸收系数I(ω)和反射率R(ω). 在四方相，介电虚部沿a，b轴，在3，7和23eV附近，分别有三个介电峰.沿c轴的三个介电峰分别位于4，8和23eV.其中4eV附近的介电峰非常尖锐而且高.从8至18eV，沿a，b ，c轴三个方向都有许多低的介电峰.通过对两相光学特性的对比分析发现铁电相KTa0.5Nb0.5O3具有更强的各向异性. 关键词： 平面波法计算 光学常量和参数 铁电体     

KCdF3:Cr3+晶体EPR零场分裂参量与电荷补偿效应的研究

按照叠加模型与EPR零场分裂参量的三阶微扰理论,建立了KCdF₃:Cr³⁺晶体EPR零场分裂参量与四角对称Cr³⁺-Cd²⁺缺陷中心局域结构之间的定量关系.证实Cd²⁺空位与晶格畸变的存在,我们获得:围绕Cr³⁺离子的六个F^-配体分别向中心Cr³⁺移动Δ₁=0.00294nm,Δ₂=0.0010nm,Δ₃=0.0028nm (参见图2).EPR零场分裂参量与实验一致表明:Cd²⁺空位与晶格畸变的假设是合理的.尽管四角晶场主要来自Cd²⁺空位,但晶格畸变的贡献不可忽略.     

La0.3Sr0.7TiO3模板层对Pb(Zr0.5Ti0.5)O3薄膜的铁电性能增强效应的研究

通过sol-gel法在Si (111) 基片上分别制备了LaNiO₃(LNO)底电极和LaNiO₃/La_0.3Sr_0.7TiO₃ (LNO/LSTO)底电极.然后采用sol-gel 方法，在两种衬底上分别制备了Pb (Zr_0.5Ti_0.5)O₃ (PZT)铁电薄膜.XRD分析表明，两种PZT薄膜均具有钙钛矿结构，且在LNO底电极上的PZT薄膜呈(100) 择优取向，而在LNO/LSTO底电极上的PZT薄膜呈随机取向.铁电性能测试表明，相对LNO衬底上制备的PZT薄膜，在LNO/LSTO底电极上制备的PZT薄膜的剩余极化强度得到了有效的增强，同时矫顽场也增大.介电常数和漏电流的测试表明，LNO/LSTO底电极上制备的PZT薄膜具有大的介电常数和漏电流. 关键词： PZT薄膜 铁电性 漏电流 0.3Sr_0.7TiO₃')" href="#">La_0.3Sr_0.7TiO₃     

聚合物慢极化的唯象理论

将晶态相变中的唯象理论方法推广用于聚合物，说明了聚合物结构转变过程中的介电行为和空间电荷驻极体效应．晶态相变是一级结构的转变，联系着快极化介电常数ε_h的异常．聚合物的各种转变是二级和三级结构的转变，ε_h并无异常而出现慢极化介电常数倒数ε_l^-1的抛物型软化．理论与聚丙烯的实验结果很好地符合 关键词：     

溶胶-凝胶法制备(Ba0.7Sr0.3)TiO3/LaNiO3异质薄膜及其结构和介电性质研究

采用改进的溶胶-凝胶方法在单晶Si(100)衬底上制备了介电性能优异的(Ba_0.7Sr_0.3)TiO₃/LaNiO₃异质薄膜.实验发现，在750 ℃下 、O₂气氛中晶化的LaNiO₃薄膜的电阻率最小.C-V与I-V特性测量表明(Ba_0.7Sr_0.3)TiO₃薄膜具有优异的介电性能，在频率为50kHz、零偏压下的相对介电常数ε_r>300，偏压为6V时漏电流密度J_L<1.2×10^-6A/cm². 关键词： xSr_1-x)TiO_３铁电薄膜')" href="#">(Ba_xSr_1-x)TiO_３铁电薄膜 ３底电极')" href="#">LaNiO３底电极 溶胶-凝胶法     

HL-1M装置逃逸电子的定标律

使用一维数值模型, 推断了逃逸能量ε_r与逃逸约束时间τ_r的关系。模拟结果给出能量ε_r 和放电参数的定标律。在HL- 1M 装置中不同实验条件下测量了硬X 射线谱, 研究了逃逸电子能量 ε_r模拟的定标律, 并推导出HL- 1M 装置放电的逃逸电子的约束时间与逃逸电子扩散系数。     

氟钙钛矿AMF3:Fe3+晶体中Fe3+离子的零场分裂参量及晶格缺陷研究

对氟钙钛矿晶体AMF₃：Fe³⁺（A=K，Rb，Cs；M=Zn，Cd）四角对称占位的零场分裂（ZFS）进行分析，证实了晶格缺陷及畸变的存在．对ZFS参量随晶格畸变参量的变化关系进行了详细研究，考虑了缺陷及缺陷引起的晶格畸变两者的贡献，得出几种氟钙钛矿晶体的晶格畸变参量 关键词：     

强电场作用下反铁电锆钛酸铅的介电行为研究

采用电滞回线方法和偏置直流电场中叠加小交变电场方法研究了锆钛酸铅反铁电陶瓷材料在强电场作用下的介电行为.测量结果显示，锆钛酸铅反铁电材料的介电常数随外加电场强度呈非线性变化，在反铁电 铁电转变的电场区间形成介电峰.表征极化强度随电场强度变化率的微分介电常数εd峰值出现在反铁电 铁电转换电场强度处，最高达到41000.随着偏置电场增加反铁电向铁电体转变过程中，小信号介电常数εc减小；在电场降低铁电回复成反铁电过程中，小信号介电常数εc增大，小信号介电常数εc峰先于微分介电常数εd峰出现.根据电场作用下反铁电 关键词： 锆钛酸铅反铁电陶瓷 介电行为 强电场条件     

铁电超晶格的一个唯象模型

引入了一个描述铁电超晶格行为模式的唯象模型.在模型中,同时考虑体与体之间的多种耦合方式.通过数值模拟,得出了超晶格的极化强度、居里温度、临界尺寸和耦合系数之间的关系.认为耦合参数c是一个与温度、晶格尺寸相关的函数,进而提出了一个关于耦合参数c的经验公式,解释了一个近期的关于KTaO₃/KNbO₃超晶格材料的实验结果. 关键词：     

Dielectric losses in the triglycine sulfate crystal under heating and cooling

Temperature dynamics of the dielectric spectra and domain structure in the triglycine sulfate (TGS) hydrogen-containing ferroelectric under heating and cooling has been studied using the dielectric spectroscopy and atomic-force microscopy methods. The dielectric spectra are analyzed by the temperature-frequency dependences of the losses ε″ and by the temperature behavior of the maximum losses ε″_max in the dispersion region at frequencies ranging from 102 to 106 Hz. A dynamic conductivity model is proposed for calculating temperature dependences of losses ε″_max. The domain structure dynamics during the heating and cooling of the TGS crystal near the phase transition is studied using the in situ piezoresponse force microscopy. It is experimentally and theoretically shown that the relaxation dispersion is governed by the binding of strongly correlated dipoles with the main lattice that serves as a thermostat.     

Barium silicate modified strontium bismuth tantalate ferroelectric thin films

Novel strontium bismuth tantalate (Sr_0.8Bi_2.2Ta₂O₉ (SBT)) modified with 3 and 5 mol% ratio barium silicate (Ba₂SiO₄) thin films were grown on Pt(100?nm)/Ti(50?nm)/SiO₂/Si(100) substrates by spin coating technique. The influence of barium silicate doping in SBT was studied from the view point of changing dielectric and ferroelectric properties like dielectric constant (ε_r) and remnant polarization (P_r). Well crystallized thin films showed convenient ferroelectric properties with comparatively lower P_r in the range between 1.52 and 0.44 µC/cm² and smaller ε_r value of 163. Thus, with such reduced values of P_r and ε_r barium silicate modified SBT offers a useful potential to be used in Ferroelectric Field Effect Transistor (FeFET) type (1T-type) Ferroelectric Random Access Memories (FeRAMs) upon improving insulation properties.     

Lattice mediated interactions and ferroelectric anomalies in the crystal (CH3NH3)5Bi2Cl11 (PMACB)

Abstract

A two-sublattice compressible pseudospin model has been constructed to describe the behaviour of the spontaneous polarisation of PMACB in the temperature region comprising the ferroelectric phase transition (T=307K) and the isomorphous anomaly (T= 180 K). A strong coupling of pseudospins with a “pancake” strain ?(2ε₃₃ ? ε₁₁ - ε₂₂) /3 resulting from the comparison of the model with the experimental spontaneous polarisation agrees with the existing data on the dielectric susceptibility, and on the specific heat. The ferroelectric phase transition then turns out to be close to a tricritical point. The numerical values of the parameters of the model show how the ferroelastic phase transition (T=260K) can occur in this crystal without any discernible effect on the specific heat and on the dielectric susceptibility.     

Specific Features of the Structure and the Dielectric Properties of Sodium–Bismuth Titanate-Based Ceramics

The phase formation, specific features, and the dielectric properties of the ceramics of compositions from the region of morphotropic interface in the (Na_0.5Bi_0.5)TiO₃–BaTiO₃ system modified by Bi(Mg_0.5Ti_0.5)O₃ and also low-melting additions KCl, NaCl–LiF, CuO, and MnO₂ that favor the control of the stoichiometry and the properties of the ceramics have been studied. The ceramics are characterized by ferroelectric phase transitions that are observed as jumps at temperatures near 400 K and maxima at T_m ~ 600 K in the temperature dependences of the dielectric permittivity. The phase transitions at ~400 K demonstrate the relaxor behavior indicating the existence of polar domains in the nonpolar matrix. An increase in the content of Bi(Mg_0.5Ti_0.5)O₃ favor a decrease in the electrical conductivity and dielectric losses of the samples, and the relative dielectric permittivity at room temperature ε_rt is retained quite high, achieving the highest values ε_rt = 1080–1350 in the ceramics modified with KCl.     

Dielectric-spectroscopic and a.c. conductivity studies on layered Na2-XKXTi3O7 (X=0.2, 0.3, 0.4) ceramics

The dependence of loss tangent (tanδ) and relative permittivity (ε_r) on temperature and frequency has been reported for Na_2-XK_XTi₃O₇ (with X=0.2, 0.3, 0.4) ceramics. The losses are characteristic of dipole mechanism and electrical conduction. The peaks of ε_r at high temperature indicate a possible ferroelectric phase transition for all three compositions. The results of a.c. conductivity studies on the same samples have also been reported. The corresponding ln(σT) versus 1000/T plots have been divided into five regions namely I, II, III, IV and V. The various conduction mechanisms in the different regions have been stressed. Furthermore, the log(σ) versus frequency plots for all the above samples reveal that the electronic hopping (polaron) conduction, which diminishes with the rise in temperature, is dominant in the lower temperature region. The interlayer ionic conduction seems to play a major role in conduction towards higher temperature.     

极性相变的介电谱研究

用时域和频域方法研究了(Ba_1-xSr_x)TiO₃陶瓷的极性相变.类似于单晶的铁电相变所观察到的晶格软化,屏蔽电荷激发和畴运动讯号外,在陶瓷中还出现空间电荷运动的强讯号.空间电荷和电畴属于凝聚态物质的高级结构,它提供慢极化效应.慢效应使频域测量结果不能得到确定值.从统计观点给出高级结构的历史记忆效应对频域测量结果的影响;解释了频域介电常量的倒数在一级结构的转变中发生线性软化,而在高级结构的转变中发生抛物型软化. 关键词：     

Dynamical behavior of the phase transition of strained from atomistic simulations

Using an atomistic shell model we study the temperature dependence of the ferroelectric properties of BaTiO₃ under biaxial compressive strain applicable to growth on perovskites substrate. Molecular dynamics simulations show a “r→c→p” sequence of phase transitions when temperature is increased, and the absence of an “ac phase”. The first-order paraelectric-to-ferroelectric phase transition presents in bulk changes to a second-order one as a consequence of the in-plane constraint imposed by the mechanical boundary conditions. From the tetragonal ferroelectric c phase, the transition takes place in a finite range of temperature where the lattice parameter normal to the plane keeps approximately constant until T_c is reached. Analysis of the local polarization behavior reveals an order–disorder dynamics as the dominant mechanism of the transition.     

On the low temperature phase transition in (NH4)2SO4

An ultracryostat and multidecameter were used to determine the temperature dependence of the dielectric constant ?′ and dielectric loss ?″ over a wide range of frequencies of single crystals and polycrystalline samples of (NH₄)₂SO₄ in the region of the low temperature phase transition. A sharp increase was observed in the values of ?′ and ?″ at about ?50°C. In addition, a dielectric dispersion was detected and found to be more pronounced in the high temperature phase. This dispersion was attributed to piezoelectric resonance. The observed sudden increase in the values of the dielectric constant and dielectric loss below ? 50°C was attributed to the ferroelectric nature of the low temperature phase of (NH₄)₂SO₄.A DTA thermogram showed a sharp peak at ? 50°C which indicated that the phase transition is one of first order type. A TMA thermogram showed that this transformation was associated with a rapid increase in the expansion coefficient. Such an increase in the lattice parameter might be attributed to the enhanced rotation of electric dipoles associated with the distorted NH₄⁺ and SO₄^2? ions. The distortion of both the ammonium and sulfate ions in addition to their expected orientational motion are suggested to be responsible for the ferroelectric behaviour of ammonium sulfate below ?50°C.A transition to a metastable hexagonal state at about ?40°C is thought to occur, and this transformation is found to be irreversible.     

X-ray and dielectric studies of Sm2(MoO4)3

The polycrystalline samples of Sm₂(MoO₄)₃ have been prepared by heating appropriate quantities of oxides. The X-ray powder diffraction technique has been used to provide information about lattice parameter, space group and basic structure. The dielectric constant has been measured as a function of frequency (560 Hz-13 MHz) and temperature (30–220°C) to know the ferroelectric transition temperature.