PTS单晶的低温热膨胀系数

本文用电容法测量了PTS单晶从77—273K平行于分子链方向和垂直于分子链方向的热膨胀系数,实验观察到沿链方向的热膨胀系数在195K附近有突变,在200K附近出现负值。对此,我们作了定性的讨论。 关键词：     

弱场搜寻态分子静电导引的理论与实验研究

我们知道当极性冷分子与非均匀静电场的相互作用势大于零时，弱场搜寻态分子将被排斥到低电场区域，从而实现冷分子的静电导引。本文提出了一种采用平行载荷导线和接地平板来实现冷分子静电导引的新方案，并详细计算了平行载荷导线在空间产生的静电场分布及其与载荷导线参数的关系，发现在电场阱中心附近的电场梯度越大，相应的Stark势能越大，分子感受到的偶极梯度力也越大。实验结果表明，这种方案可以实现弱场搜寻态溴甲烷超声分子束平动温度为几K的静电导引，通过改变导线和平板的空间位置及其电压，可以获得较高的导引效率。研究表明该方案不仅可用于弱场搜寻态冷分子的静电导引，     

TS单晶非公度相变膨胀系数的研究

本文研究了 TS 从77K 到300K 膨胀系数与温度的关系,结果表明 TS 在非公度相变时膨胀系数出现明显反常.分析了 TS、PTS 的结构,指出侧链极性基团的运动在其中起重要作用.与铁磁性、反铁磁性材料类比,说明了反铁电性对膨胀系数的影响.     

高分子链在分子刷表面吸附的Monte Carlo模拟

用Monte Carlo方法模拟研究了一条自由高分子链在分子刷表面吸附的静态和动态特性.结果表明,随着自由链与分子刷之间吸附作用能(ε)的增大,自由链出现由脱吸附态到吸附态的相转变,同时链的扩散由正常模式转为亚扩散模式.临界吸附能(ε_C)几乎与自由链长度无关,但随着分子刷链长度的减小或分子刷链间距的增大而不断增大.在ε_C附近,自由链嵌入分子刷内部,同时链尺寸达到极小,而当ε?ε_C时,自由链处于强吸附态,链节主要分布于分子刷表层,同时整个吸附动态过程可分为自由链吸附和分子刷扩散两个阶段.     

初始碳烟颗粒形成的反应分子动力学模拟

本文采用ReaxFF反应分子动力学模拟的方法研究了温度对PAH生成初始碳烟颗粒的路径的影响。低温时(400 K),PAH单体分子通过物理成核的方式形成初始碳烟颗粒。中等温度时(1600 K),PAH只能形成二聚物或三聚物,无法发生从气相单体到固相碳烟颗粒的转变。当温度升高到2500 K,PAH通过化学成核形成碳烟颗粒,PAH分子首先分解形成碳链分子,碳链分子相互链接进一步形成富勒烯结构的碳烟颗粒。     

癸胺盐酸盐晶体相变的拉曼光谱研究

在290—340K温度范围内,考察了标题化合物分子链的C—H和C—C伸缩振动等主要拉曼散射谱带频率和强度随温度的变化。结果表明,癸胺盐酸盐晶体在313K和321K发生两次结构相变。在低于313K时,分子链以完全有序的全反式构象存在;在313K以上时,分子链出现了旁式构象。高于321K时,随着旁式链构象的骤增,分子链的侧向填充有序度明显降低,链的“流动性”明显增强。     

双分子链中非线性多激子态的动力学研究

在超快激光激发下分子聚集体内有多个激子产生.针对具有链间耦合的双分子链系统,应用密度矩阵理论,在偶极-偶极近似和算符算术平均值近似下通过求解量子主方程计算了不同双链构型下的多激子动力学过程.研究发现在光激发作用下的多激子离域在双链分子系统中,在能量表象下形成激子态能带.激子态能带的宽度和激子占据能级随双分子链构型的不同而不同.对于链间和链内均为H型排列的分子链,激子态能带变宽,激子态优先占据在高阶能级上.在不同能级下的激子具有不同的动力学演变特点.若链间耦合较强,激子态通过链间耦合传递,与分子是否直接受到激发没有直接关系,激发态在两个链内的转移周期与最近邻的链间耦合有直接关系.     

从聚酰亚胺单分子链电荷陷阱特性的改变探讨体材料的沿面放电现象

沿面放电是破坏绝缘系统性能的原因之一.聚酰亚胺常用于高频电力设备的气-固绝缘中,为此利用密度泛函理论,从原子分子层面探讨了在外电场下聚酰亚胺及其受极性基团OH~–影响后的单分子链结构、能级与态密度、静电势、激发态等微观参数对陷阱形成以及沿面放电的影响.结果表明,外电场下,聚酰亚胺分子结构卷曲,偶极矩增加,易于积聚电荷形成空间电荷中心,尤属引入极性基团OH~–后变化较明显;聚酰亚胺分子中,苯环区域形成空穴陷阱,酰亚胺环区域形成电子陷阱,且电子陷阱能级的数量较多,其中空间电荷陷阱深度随外电场的增加逐渐变深;聚酰亚胺分子在引入极性基团OH~–后激发能降低,使得分子内部的电子变得容易被激发;电子与空穴的空间分离度随电场增加而降低,利于空穴与电子的复合而发出光子.     

TS及PTS聚合过程的介电性质研究

测量了TS的介电常数与温度的关系,在160K和203K附近观察到异常;同时也跟踪测量了TS在固态聚合过程中介电常数与聚合度的关系,发现在聚合初期,介电常数先是下降,当聚合度高于30％时,介电常数迅速上升。我们认为这些变化与侧链极性基团和碳链π电子的行为有关,并对此进行了定性的讨论。 关键词：     

分子极性对类胡萝卜素共振拉曼光谱的影响

测量了非极性分子β胡萝卜素和极性分子角黄素, 在非极性溶剂CS₂和极性溶 剂1,2二氯乙烷中243–293 K的温度范围内的共振拉曼光谱. 结果表明, 溶质和溶剂的极性对拉曼光谱影响很大. 非极性分子β胡萝卜素在非极性溶剂CS₂中的拉曼散射截面最大, 线宽最窄, 而极性分子角黄素在极性溶剂1,2二氯乙烷中的拉曼散射截面最小, 线宽最大. 用溶剂效应及线性多烯分子的“相干弱阻尼电子-晶格振动”, “有效共轭长度”模型给予了解释.     

Dielectric permeability of the quasi-one-dimensional charge transfer salts: Qn(TCNQ)2 and NMeAd(TCNQ)2

The dielectric constant and conductivity of the high conductivity organic charge transfer comples salts Qn(TCNQ)₂ and NMeAd(TCNQ)₂ are measured at 9.1 GHz in the temperature range 4–320 K. The large increase with temperature of the dielectric constant is at variance with theoretical models describing the systems as metals or semiconductors at high temperatures. A model of localised states requires unreasonably large dipole moments in the excited state to fit with observations.     

Polarization Mechanism in Filled Tungsten Bronze Ba_4Eu_2Ti_4Nb_6O_(30) with Pinched P-E Hysteresis Loops

Pinched P-E hysteresis loops have been observed in filled tungsten bronze Ba_4Eu_2Ti_4Nb_6O_(30),indicating the presence of novel polarization mechanisms.We investigate the evolution of polar order in filled tungsten bronze Ba_4Eu_2Ti_4Nb_6O_(30),together with its dielectric properties over a wide temperature range,from 50 K to 773 K.The temperature dependences of the dielectric properties exhibit two low-temperature dielectric relaxations,at around 300 K(P1),and 100 K(P2),and a high temperature peak at 588 K with no frequency dispersion,indicating the ferroelectric transition temperature T_c.Pinched P-E loops are observed in the temperature range between the low temperature relaxation at P1,and the ferroelectric transition.On cooling,the pinched P-E hysteresis loops open gradually,with increasing remnant polarization(Pr).Two pairs of reversal electric fields indicate two types of polar reversal mechanisms,with an activated energy of 1.41 eV(E_1),and 0.94 eV(E_2),respectively.One corresponds to the field-induced transition from a nonpolar to a polar state,which dominates at a high temperature close to T_c,while the other relates to the reversal of ferroelectric domains which stabilize gradually on cooling.At temperatures below 300 K,the polarization exhibits an evident decrease,probably related to the disruption of the polar order due to the dielectric relaxation at P1.     

Novel dielectric anomaly in the hole-doped La(2)Cu(1-x)Li(x)O(4) and La(2-x)Sr(x)NiO(4) insulators: signature of an electronic glassy state

The low-frequency dielectric response of hole-doped insulators La(2)Cu(1-x)Li(x)O(4) and La(2-x)Sr(x)NiO(4) shows a large dielectric constant epsilon(') at high temperature and a steplike drop by a factor of 100 at a material-dependent low temperature T(f). T(f) increases with frequency, and the dielectric response shows universal scaling in a Cole-Cole plot, suggesting that a charge-glass state is realized both in the cuprates and in the nickelates.     

Dielectric characteristics of CaCu3Ti4O12/P(VDF-TrFE) nanocomposites

Composite thin film is highly desirable for the dielectric applications. In order to develop composite thin film, a nanocomposite, in which nanosized CaCu₃Ti₄O₁₂ (CCTO) particles are used as filler and P(VDF?CTrFE) 55/45 mol% copolymer is used as polymer matrix, is investigated. The contents of CCTO in the nanocomposites range from 0% to 50?vol%. The dielectric property of these nanocomposites was characterized at frequencies ranging from 100 Hz to 1 MHz and at temperatures ranging from 200 K to 370 K. A dielectric constant of 62 with a loss of 0.05 was obtained in nanocomposite with 50?vol% CCTO at room temperature at 1 kHz. At the phase transition temperature (??340?K) of the copolymer, a dielectric constant of 150 with a loss less than 0.1 was obtained in this nanocomposite. It is found that the dielectric loss of the nanocomposites is dominated by the polymer which has a relaxation process. Comparing to composites made using microsized CCTO, the nanocomposites exhibit a much lower dielectric loss and a lower dielectric constant. This indicates that the nanosized CCTO particles have a lower dielectric constant than the microsized CCTO particles.     

Pb(Zr,Sn,Ti)O3反铁电陶瓷的低温相变扩散与极化弛豫

用弱场介电温谱、热释电流谱、强场电滞回线和变温X射线衍射谱研究了微量La掺杂Pb(Zr,Sn,Ti)O₃(PZST)反铁电(AFEt)陶瓷在-100—180℃温区内的结构与电学特性.弱场介电温谱显示,AFEt陶瓷在低温段(-100—50℃)呈现介电频率弥散(0.1—100kHz)和扩散型相变的特征,而变温X射线衍射谱却表明材料在这一温区内保持四方相结构;低温下经强场作用后,AFEt被诱导为亚稳三方铁电态,介电频率弥散消失.基于多元复杂化合物的组分起伏理论,讨论了PZST AFEt陶瓷 关键词： Pb(Zr Sn 3反铁电陶瓷')" href="#">Ti)O₃反铁电陶瓷 反铁电弛豫 相变 变温X射线衍射     

Alternating current characterization of nano-Pt(Ⅱ)octaethylporphyrin(PtOEP) thin film as a new organic semiconductor

Alternating current(AC) conductivity and dielectric properties of thermally evaporated Au/Pt OEP/Au thin films are investigated each as a function of temperature(303 K–473 K) and frequency(50 Hz–5 MHz).The frequency dependence of AC conductivity follows the Jonscher universal dynamic law.The AC-activation energies are determined at different frequencies.It is found that the correlated barrier hopping(CBH) model is the dominant conduction mechanism.The variation of the frequency exponent s with temperature is analyzed in terms of the CBH model.Coulombic barrier height Wm,hopping distance Rω,and the density of localized states N(EF) are valued at different frequencies.Dielectric constant ε_1(ω,T) and dielectric loss ε_2(ω,T) are discussed in terms of the dielectric polarization process.The dielectric modulus shows the non-Debye relaxation in the material.The extracted relaxation time by using the imaginary part of modulus(M')is found to follow the Arrhenius law.     

Magnetic-field-induced phase transition in Tb0.95Bi0.05MnO3+δ multiferroic

The effect of a magnetic field on the dielectric properties of Tb_0.95Bi_0.05MnO_3+δ single crystals has been analyzed. It has been shown that the state of the crystal for temperatures of 5–440 K is inhomogeneous and restricted domains of polar and spin correlations are exhibited in it. A phase transition in which the inhomogeneous state of the crystal changes substantially has been observed at a temperature of T ? 180 and 225 K (in the absence and presence of a magnetic field, respectively). The high-temperature phase contains large dielectric domains with a high dielectric constant (ε ～ 10⁵) and thin conducting layers at the boundaries of these domains. The magnetic field significantly affects the state of both low-and high-temperature phases of the crystal, shifting the temperature of the phase transition between them, and induces an additional phase transition at T ? 441 K.     

A comparative study of magnetic and dielectric behaviors for La(1-x)Bi(x)Mn(1-y)Fe(y)O3 series (with x = 0.5, 0.7 and y = 0.3, 0.7)

We have carried out an extensive investigation into the effect of doping on both the A- and B-sites for the multiferroic La(0.5)Bi(0.5)Mn(0.5)Fe(0.5)O(3) in relation to its physical properties. The temperature dependent magnetization and dielectric response are determined for different percentages of Bi- and Fe-substitutions. For La(0.5)Bi(0.5)Mn(0.7)Fe(0.3)O(3), there is a prominent ferromagnetic transition T(C) around 110 K, whereas the other La(0.5)Bi(0.5)Mn(0.3)Fe(0.7)O(3) and La(0.3)Bi(0.7)Mn(0.3)Fe(0.7)O(3) phases fail to exhibit any clear transition. On the other hand, for the Fe-rich phases, the coercive field increases to 2450 Oe compared to 1720 Oe (for the Mn-rich phase). All the compositions exhibit coexistence of ferromagnetic and antiferromagnetic phases at low temperatures. The temperature dependent dielectric constant of the investigated samples varies from 32,000 to 500 at room temperature and the data has been analyzed using the universal dielectric response model.     

Dielectric properties and phase transition of zinc tris(thiourea) sulfate single crystal

The dielectric properties and the ferroelectric to paraelectric phase transition of zinc tris(thiourea) sulfate (ZTS) single crystal have been investigated in a wide range of temperatures and frequencies. In the lower frequency region the real part of dielectric permittivity of the ZTS crystal shows a sudden increase at 323 K. Prominent first-order ferroelectric to paraelectric phase transition at 323 K has been observed in the plot of dielectric permittivity versus temperature at different frequencies. It has been observed that the phase transition occurs in ZTS crystal with a low degree of disorder. Surprisingly, it has been observed for ZTS that the value of the dielectric permittivity is only about 10 at high frequencies and is found to increase to 50 at low frequencies. Dielectric loss has higher values in the paraelectric region.