由BaTiO3晶体结构相变时的介电特性研究其电场作用下的偶极子偏转路径

在不同频率和偏置电场下测量了BaTiO3晶体从三方相到正交相再到四方相相变过程中的介电温谱.基于BaTiO3晶体在电场作用下的偶极子偏转假设和介电特性实验结果,提出BaTiO3各结构相在电场作用下的偶极子偏转路径可以由其相邻相的介电常数随温度的变化特性表现出来.推断出各结构相的偶极子偏转路径,以及偏置电场对偶极子偏转路径的影响.     

(K0.45Na0.55)NbO3无铅压电晶体的生长形态与介电性能研究

采用高温熔融法制备出了尺寸达5 mm×3 mm×1 mm的(K_0.45Na_0.55)NbO₃(KNN)无铅铁电晶体. XRD测试结果表明KNN晶体结构为纯的钙钛矿正交相结构,晶体的显露面为〈001〉结晶面. SEM显微结构分析表明晶体沿[001]方向呈现层状生长台阶,采用负离子配位多面体生长基元模型解释了晶体层状台阶的生长机理. 研究了晶体样品在室温至500 ℃温度范围内的介电性能,两个介电异常峰出现在240和405 ℃,分别对应正交铁电-四方铁电以及四方铁电-立方顺电相相变温度. 采用修正后的居里外斯定律研究了KNN晶体的介电弛豫特性,结果表明KNN晶体的介电弛豫特性接近于普通铁电体特征. 关键词： 0.45Na_0.55)NbO₃晶体')" href="#">(K_0.45Na_0.55)NbO₃晶体 无铅 晶体结构 介电性能     

钛酸锶钡材料在外加电场作用下的拉曼光谱研究

采用传统的固相反应烧结方法制 备Ba_xSr_1-xTiO₃（0.40≤ x ≤0.70）陶瓷,借助于Raman散射光谱,研究了陶瓷样品在不同原位电场作用下Raman振动模式的变化,观察到居里温度附近显著的电场诱导的四方–立方相之间的转变. 结果表明A₁（TO₃）和E（TO₄）两种振动模式与晶体的结构存在密切的联系,这两种模式源于O-Ti-O沿晶格中c轴的方向和ab面内的振动. A₁（TO₃）/E（TO₄）之间Raman峰的相对强度比,随外加场强的增加明显升高,顺电相逐渐转变为铁电相,晶格的畸变越来越明显,其宏观性能上表现为介电常数的降低,可调率的增加. 同时对居里温度附近电场诱导的结构相变对顺电相下介电非线性的贡献进行了探讨. 关键词： 钛酸锶钡 Raman散射光谱 结构相变     

铁电相变中极化与介电性的随机场效应

基于随机场Ising模型描述的有序无序相变中偶极子在电场作用下的反转运动, 研究了有序无序相变过程中电场与极化强度的关系. 认为tanh(x) 的函数关系与位移型二阶铁电相变极化强度随电场变化的实验结果完全相同. 由此得出基本结论: 偶极子的集体转向造成了极化强度的增大并等同于内电场的增加. 通过区分光学模和偶极子对介电隔离率的贡献, 考虑偶极子极化对介电常数复数形式的频率色散关系, 发现从高斯分布的居里温度可以导出二阶铁电相变过程中介电常数与温度和频率的色散关系. 关键词： 铁电相变 极化强度 随机场     

BaTiO3和Ce:BaTiO3晶体极性声子和电磁激元的喇曼散射研究

从声子-电磁激元频率色散关系的普遍公式出发,推导出了单轴晶体的Merten方程和电磁激元的频率色散关系。测量了BaTiO₃和Ce:BaTiO₃晶体的简正模和斜声子的喇曼散射谱,并根据Merten方程,拟合出了斜声子的方向色散曲线;记录了A₁类电磁激元在不同波矢值下的喇曼谱,观察到其频率色散现象.根据以上结果,对A₁(TO)模喇曼谱中两个宽的非对称峰的归属和BaTiO₃晶体的结构相变机制进行了讨论;计算出了这两种晶体的受夹介电常数;分析了掺Ce对BaTiO₃晶体结构的影响。 关键词：     

钨青铜型结构铁电体的低温扩散相转变

对六种钨青铜结构的铌酸盐铁电晶体进行了从15 K 到室温范围的介电特性及热电特性的研究. 分析其介电特性和热电特性与极化电场的关系, 用x 射线粉末衍射进行佐证. 证实在50 一70 K 的范围内, SBN , PBN , KNSBN 三类铁电钨青铜铌酸盐晶体均存在着一个新的相变. 相变是由点群4mm铁电相到点群mm2 铁电相的转变. 铁电自发极化方向由四方晶胞的c轴方向转变到正交晶胞的b 轴方向.介电特性的高频及低频测量表明该相变具有扩散(或称弥散)型特征. 比热的实验结果证明相变是属于高于一阶相变的高阶相变. 对相变前后的晶胞结构提出了一个模型解释. 关键词：     

La诱导(Pb(1-3x/2)Lax)(Zr0.5Sn0.3Ti0.2)O3反铁电介电弛豫研究

采用标准电子陶瓷工艺制备了(Pb_(1-3x/2)La_x)(Zr_0.5Sn_0.3Ti_0.2)O₃(PLZST,0.00≤x≤0.18)反铁电陶瓷,利用X射线衍射、不同频率下弱场介电温谱、强场下的极化强度-电场(P-E)测试研究了材料相结构和电学性能.实验结果发现,随La含量x增大,室温下材料由铁电三方相(关键词： 反铁电陶瓷 介电频率色散 相变弥散 介电弛豫     

钨青铜型结构铁电体的低温扩散相转变

对六种钨青铜结构的铌酸盐铁电晶体进行了从15K到室温范围的介电特性及热电特性的研究。分析其介电特性和热电特性与极化电场的关系,用X射线粉末衍射进行佐证。证实在50—70K的范围内,SBN,PBN,KNSBN三类铁电钨青铜型铌酸盐晶体均存在着一个新的相变。相变是由点群4mm铁电相到点群mm²铁电相的转变。铁电自发极化方向由四方晶胞的e轴方向转变到正交晶胞的b轴方向。介电特性的高频及低频测量表明该相变具有扩散(或称瀰散)型特征。比热的实验结果证明相变是属于高于一阶相变的高阶相变。对相变前 关键词：     

BaTiO3晶体自抽运相位共轭特性研究

研究了多种Rh:BaTiO₃和Ce:BaTiO₃晶体样品的受激背向光折变散射自抽运相位共轭特性和响应时间特性.结果表明,入射光与晶体a面或b面法线的夹角较大时,自抽运相位共轭光有更高的反射率、更快响应时间.利用前向二波耦合特性和相向二波耦合特性对实验现象给予合理的解释.实验结果表明,多数Ce:BaTiO₃晶体比Rh:BaTiO₃晶体的共轭光反射率高. 关键词： 钛酸钡晶体 二波耦合 自抽运相位共轭 响应时间     

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}     

Na0.25K0.25Bi0.5TiO3无铅压电陶瓷的介电特性研究

用固相反应法制备了Na_0.25K_0.25Bi_0.5TiO₃ (NKBT50)陶瓷，研究了该陶瓷在室温至400℃温度范围内的介电性能.发现该陶瓷的介电温谱与烧结气氛、极化状态有关.在空气中烧结的未极化样品在70℃附近存在介电和损耗峰，而极化后及在氧气氛中烧结的样品并不存在该介电、损耗峰.分析认为70℃的介电和损耗峰与氧空位形成的缺陷偶极子的极化弛豫有关.热激电流显示，陶瓷的去极化温度为225℃，与此相对应的介电、损耗峰也 关键词： 介电性能 氧空位 极化弛豫 钛酸铋钠钾     

Fe-Ni-BaTiO3复合材料的介电行为及其机理研究

利用金属铁、镍(Fe与Ni保持mol比为22∶78不变)与钛酸钡复合，在保护气氛下成功烧结制备了高介电常数Fe-Ni-BaTiO₃复合陶瓷材料，并研究了该复合材料的电导和介电性能及其物理机理.分析结果表明，由于渗流效应，随着陶瓷中金属含量的增加，材料经历了绝缘体—导体突变.同时，在渗流阈值附近，材料的介电常数有了极大的提高.当金属体积含量为0.23时，即在绝缘体向导体转变的渗流阈值附近，复合材料的介电常数达到了22000，为同条件下制备的纯钛酸钡陶瓷体介电常数的12倍，同时材料的介电 关键词： 3')" href="#">Fe-Ni-BaTiO₃ 渗流理论 介电性能 Maxwell-Wagner效应     

A first-principles study of phase transitions in ultrathin films of BaTiO3

We determine the effects of film thickness, epitaxial strain and the nature of electrodes on ferroelectric phase transitions in ultrathin films of BaTiO₃ using a first-principles effective Hamiltonian in classical molecular dynamics simulations. We present results for polarization and dielectric properties as a function of temperature and epitaxial strain, leading to size-dependent temperature-strain phase diagram for the films sandwiched between ‘perfect’ electrodes. In the presence of non-vanishing depolarization fields when non-ideal electrodes are used, we show that a stable stripe-domain phase is obtained at low temperatures. The electrostatic images in the presence of electrodes and their interaction with local dipoles in the film explain these observed phenomena.      

钽掺杂对钛酸钡导热性能影响的研究

利用光热检测技术测量了钛酸钡材料的导热性能，得到了不同成型压力、烧结温度以及不同 掺杂量下的钛酸钡材料的热扩散率.研究了钽掺杂对钛酸钡材料导热性能的影响，发现了钽 元素掺杂量小于1.5mol%时，钛酸钡材料的热扩散率随掺杂量的增加而增大，当钽元素掺杂 量大于1.5mol%时，热扩散率随掺杂量的增加而减少.对钛酸钡材料的导热性能做了进一步的 分析. 关键词： 光热检测 钛酸钡 导热性能 钽掺杂     

Ferroelectric behaviour of 30nm BaTiO3 ceramics prepared by high pressure assisted sintering

Dense nanocrystalline BaTiO3 ceramics with a homogeneous grain size of 30 nm was obtained by pressure assisted sintering. The ferroelectric behaviour of the ceramics was characterized by the dielectric peak at around 120 ℃, the P-E hysteresis loop and some ferroelectric domains. These experimental results indicate that the critical grain size for the disappearance of ferroelectricity in nanocrystalline BaTiO3 ceramics fabricated by pressure assisted sintering is below 30 nm. The ferroelectric property decreasing with decreasing grain size can be explained by the lowered tetragonality and the ＇dilution＇ effect of grain boundaries.     

First principles study of Ca in BaTiO3 and Bi0.5Na0.5TiO3

BaTiO₃–Bi_0.5Na_0.5TiO₃ is one of the promising candidates as a high-temperature relaxor with a high Curie temperature and several preferred dielectric characteristics. It has been found experimentally for a long time that adding calcium to BaTiO₃–Bi_0.5Na_0.5TiO₃ improves its temperature characteristic of the capacitance [J. Electron. Mater. 39, 2471]. In this study, Calcium (Ca) defects in perovskite BaTiO₃ and Bi_0.5Na_0.5TiO₃ have been studied based on first-principles calculations. In both BaTiO₃ and Bi_0.5Na_0.5TiO₃, our calculations showed that Ca atom energetically prefers to substitute for the cations, that is Ba, Bi, Na and Ti, depending on the growth conditions. In most cases, Ca predominantly substitutes on the A-site without providing additional electrical carriers (serve as either neutral defects or self-compensating defects). The growth conditions where Ca can be forced to substitute for B-site (with limited amount) and the conditions where Ca can be forced to serve as an acceptor are identified. Details of the local structures, formation energies and electronic properties of these Ca defects are reported.     

Determination of elastic, piezoelectric, and dielectric constants of an R:BaTiO3 single crystal by Brillouin scattering

From the sound velocity measured using the Brillouin scattering technique, the elastic, piezoelectric, and dielectric constants of a high-quality monodomain tetragonal Rh：BaTiO3 single crystal are determined at room temperature. The elastic constants are in fairly good agreement with those of the BaTiO3 single crystal, measured previously by Brillouin scattering and the low-frequency equivalent circuit methods. However, their electromeehanical properties are significantly different. Based on the sound propagation equations and these results, the directional dependence of the compressional modulus and the shear modulus of Rh：BaTiO3 in the （010） plane is investigated. Some properties of sound propagation and electromechanical coupling in the crystal are discussed.     

Dielectric properties and temperature stability of BaTiO3 co-doped La2O3 and Tm2O3

The influence of La₂O₃ and Tm₂O₃ co-doping on the dielectric properties and the temperature stability of BaTiO₃ was investigated. BaTiO₃ ceramics were prepared with the compositional formula of (Ba_1−xLa_x)(Ti_1-x/4−yTm_y)O₃. La₂O₃ and Tm₂O₃ co-doping in BaTiO₃ mainly had effects on an increase in the dielectric constant and the temperature stability, respectively. The increase of La₂O₃ concentration and the decrease of Tm₂O₃ concentration in BaTiO₃ resulted in a decrease of lattice parameter and tetragonality because La³⁺ ion substituting for Ba site is smaller than Ba²⁺ ion and Tm³⁺ ion substituting for Ti site is larger than Ti⁴⁺ ion. With the increase of La₂O₃ and the decrease of Tm₂O₃, the dielectric constant of BaTiO₃ was enhanced in spite of the reduction of tetragonality. P-E hysteresis measurements revealed that this phenomenon was based on the improvement of remanent polarization with the increase of La₂O₃ concentration. The introduction of excess Tm₂O₃ in BaTiO₃ suppressed the grain growth and BaTiO₃ ceramics showed higher temperature stability due to the stable tetragonal structure and the small grain size with the increase of Tm₂O₃ concentration.     

Phenomenological description of phase transitions in thin BaTiO<Subscript>3</Subscript> films

Phase transitions in thin epitaxial films of BaTiO₃ are described phenomenologically in terms of Landau potentials with sixth-and eighth-order terms. It is established that the phase diagram depends on the electrostrictive constant Q ₁₂. The phase diagrams calculated for different values of Q ₁₂ available in the literature differ qualitatively. The dependence of the misfit strain of a film on the film tetragonality at room temperature is found, which makes it possible to determine the thermodynamic path in the phase diagram for a specific film. The dependences of the spontaneous polarization and dielectric constant of a film on the misfit strain at room temperature are constructed.