Electrical conduction in thin thermally nitrided SiO2 (nitroxide)

Nitridation-enhanced conduction in thin nitroxide films has been examined in detail. Significant increase of high field current is attributed both to the enhanced Fowler-Nordheim (FN) tunneling injection and the Poole-Frenkel (PF) emission; the latter is confirmed by the linear dependence of log(I_PF) on E and the existence of a self-consistent dynamic dielectric constant. It is found that the enhancement of electron FN tunneling arises mainly from the piling up of nitrogen at the surface, but the PF component originates from the traps which are related to the nitrogen concentration in the bulk of nitroxide.     

Synthesis,structural characterization,spectroscopic, thermal,dielectric and Hirshfeld surface analysis of 1-(2-methoxyphenyl)piperazinium chloranilate

The new compound 1-(2-methoxyphenyl)piperazinium chloranilate (MPP.CA) was synthesized and studied by the single crystal X-ray diffraction method. Its structure was confirmed by infrared spectroscopy. The crystal structure consists of ribbons of chloranilate anions and 1-(2-methoxyphenyl)piperazinium cations linked together by NH…O hydrogen bonds. Two protons are transferred from a chloranilic acid molecule to the nitrogen of the piperazine in this structure. Measurements of AC conductivity as a function of frequency at different temperatures indicated the hopping conduction mechanism; in addition, the variation of dielectric constant as a function of T confirmed the transition phase indicated by the differential scanning calorimetry (DSC). The physico-chemical properties, UV-Vis, DSC and dielectric properties are described. Hirshfeld surface analyzes all the intermolecular interactions involved within the structure, which are important to stabilize the structure.     

氢负离子在电介质球面附近的光剥离研究

利用镜像法结合半经典闭合轨道理论,对氢负离子在电介质球面附近的光剥离进行了研究.首先利用镜像法分析了剥离电子在电介质球内的镜像电荷分布情况,然后给出了体系的哈密顿量.通过求解哈密顿正则方程,找到了剥离电子在电介质球面附近运动时的闭合轨道.借助于半经典闭合轨道理论,推导出了体系的光剥离截面,并且对光剥离截面进行了计算和分析.计算结果表明,氢负离子在电介质球面附近的光剥离截面不仅与入射光子的能量有关,而且还与电介质球面的介电常数有关.对于给定的电介质球面,随着入射光子的能量增加,光剥离截面的振荡振幅减小、振荡频率增加.当入射光子的能量增加到某一临界值时,光剥离截面的振荡结构消失.除此之外,随着电介质球面介电常数的增大,光剥离截面的振荡结构变得更加复杂.当电介质常数增大到无穷大时,体系的光剥离截面和氢负离子在金属球面附近的光剥离截面一致.因此,可以通过改变入射光子的能量及电介质球面的介电常数对氢负离子在电介质球面附近的光剥离截面进行调控研究.研究结果对负离子体系在电介质球面附近的光剥离的实验研究可以提供一定的理论指导和参考价值.     

Giant Static Dielectric Constant of Strained PbTiO3

First-principles density functional perturbation calculations are employed to study the dielectric and piezoelectric properties of strained tetragonal PbTiO3. Lattice distortion, static dielectric constant, Born effective charge, zone-centre phonons, and piezoelectric constant are obtained. For the strained tetragonal PbTiO3, we obtain a giant static dielectric constant （3600） under a strain 0. 77%. Moreover, the calculated piezoelectric constant e15 of strained PbTiO3 reaches about 203 C/m^2 which is about 20 times of that of unstrained system. The giant static dielectric constant is mainly due to the softening of the lowest-frequency phonon mode and the reduce of Ti-O bond length. This work demonstrates a route to a giant static dielectrics for electrically microwave and other devices.     

Structure Characterization of HSQ Films for Low Dielectrics Using D5 as Sacrificial Porous Materials

Low-density materials, commercially available hydrogensilsesquioxane （HSQ） offer a low dielectric constant. HSQ films can be obtained by spin on deposition （SOD）. In this work, low-dielectric-constant HSQ films are prepared by using D5 （decamethylcyclopentasiloxane） as sacrificiaJ porous materials. The dielectric constant of silica films significantly changes from 3.0 to 2.4. We report the structural aspects of the films in relation to their composition after annealed at 300℃, 400℃, and 500℃ for 1.5h in nitrogen ambient and annealed at 400℃ for 1.5h in vacuum. Si-OH appears after annealed at 400℃ for 1.5h in vacuum. The results indicate that the proper condition is in nitrogen ambient. Intensity of the Sill peak increases with the increasing temperature. Fourier transform infrared spectroscopy is used to identify the network structure and cage structure of Si-O-Si bonds and other possible bonds. Dielectric constant k is significantly lowered by annealing at 350℃ for 1.5h in nitrogen ambient. The I-V and C-V measurements are used to determine the dielectric constant, the electric resistivity and the breakdown electric field.     

分数Poynting-Thomson模型对E7复介电常数的应用

基于分数阶微积分理论和介电分数单元,建立了分数Poynting-Thomson模型,给出了复介电常数的表达式.利用遗传算法结合共轭梯度法,分别求得复介电常数实部和虚部的最优参数,并对E7（主要是氰基联苯化合物）复介电常数实部和虚部的实验数据进行拟合.结果表明能对E7的复介电常数给出很好的描述.另外,由于该法对研究聚合物的复介电常数有广泛的适用性,故该法对研究与E7性质相差很大的聚合物同样适用.     

分数Poynting-Thomson模型对E7复介电常数的应用

基于分数阶微积分理论和介电分数单元,建立了分数Poynting-Thomson模型,给出了复介电常数的表达式.利用遗传算法结合共轭梯度法,分别求得复介电常数实部和虚部的最优参数,并对E7（主要是氰基联苯化合物）复介电常数实部和虚部的实验数据进行拟合.结果表明能对E7的复介电常数给出很好的描述.另外,由于该法对研究聚合物的复介电常数有广泛的适用性,故该法对研究与E7性质相差很大的聚合物同样适用.     

Dielectric relaxation and hydrogen bond interaction study of diol-water mixtures

Complex dielectric permittivity measurements in the frequency range 10MHz-20GHz have been carried out in diol-water mixtures over the entire concentration range using a time domain reflectometry (TDR) method at 25°C. A hydrogen bonded theory is applied to compute the dielectric constant for the mixtures. It adequately reproduces the experimental values of static dielectric constants for the diol-water mixtures. The dielectric parameters confirm that the intermolecular homogeneous and heterogeneous hydrogen bonding vary significantly with the increase in concentration of the constituents of the diol-water mixtures.     

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     

Study of heterogeneous interaction in binary mixtures of 2-methoxyethanol-water using dielectric relaxation spectroscopy

The dielectric relaxation measurements on binary mixtures of 2-methoxyethanol with water have been carried out over entire concentrations and at temperature range of 0 °C to 25 °C using a picosecond time domain reflectometry technique. The complex dielectric permittivity spectra of 2-methoxyethanol/water mixtures were fitted using Havriliak-Negami equation. The static dielectric constant and relaxation time for all concentrations were obtained using least square fit method. The principal relaxation time is small if compared to that of corresponding alcohol/water mixtures this may be due to the hydrogen bonding ether oxygen in the 2-ME-water system. Excess dielectric properties, Kirkwood correlation factor, thermodynamic properties and Bruggeman factor are also determined and the results are interpreted in terms of heterogeneous interactions among the unlike molecules due to hydrogen bonding.     

Feasibility of using vanadium to form damascene structures with an air gap

We have studied the feasibility of fabricating multi-level interconnects using air as an interlayer dielectric material. In particular, we fabricated dual damascene structures using the via-first approach without etch stop layers required for trench formation, which opens up the possibility of further lowering the effective dielectric constant. Dual damascene structures were formed by sequential deposition of vanadium and vanadium pentoxide layers, which was followed by etching with hydrogen peroxide and water, respectively. Use of vanadium, vanadium pentoxide, and hydrogen peroxide was found suitable for the conventional silicon technology. Based on the findings in this study a novel process for the air gap formation was proposed, which may be applied even to the substrate level.     

巨介电常数氧化物CaCu3Ti4O12的介电和阻抗特性

采用固相烧结法合成了单相巨介电常数氧化物CaCu₃Ti₄O₁₂（CCTO）.用阻抗分析仪分析了10—420 K温度范围内的介电频谱和阻抗谱特性,并结合ZVIEW软件进行了模拟.结果表明：温度高于室温时,频谱出现两个明显的弛豫台阶,低频弛豫介电常数随温度升高而显著增大,表现出热离子极化特点;温度低于室温时,频谱表现出类德拜弛豫,且高、低平台介电常数值基本不随温度变化,表现出界面极化特点和较好的温度稳定性.频谱中依次出现的介电弛豫对应于阻抗谱中 关键词： 3Ti₄O₁₂')" href="#">CaCu₃Ti₄O₁₂ 介电频谱 阻抗谱 Cole-Cole半圆弧     

The Effects of Charge Transfer Interactions on the Properties of Ice Ih

Potential models which include charge transfer are used to study ice/water coexistence properties and properties of the ice Ih phase. Two charge transfer models are used, one which is non-polarizable and one which is polarizable. These models transfer a discreet amount of charge for each hydrogen bond made and the net charge of a molecule is determined by the difference in the number of hydrogen bonds a molecule makes as a donor and as an acceptor. In ice Ih, this difference is very near zero and the net amount of charge transfer is correspondingly essentially zero. This differs from the amount of charge transfer in the liquid phase. The results for the polarizable charge transfer model confirm other studies that suggest the importance of polarizability in reproducing the high dielectric constant of ice Ih.     

Dielectric properties of a hydrated sulfonated poly(styrene-ethylene/butylenes-styrene) triblock copolymer

The present study showed that sulfonated poly(styrene-ethylene/butylenes-styrene) (S-SEBS) triblock copolymer ionomers can be made to exhibit dielectric constants on the order of a hundreds thousand. Although they are too lossy at this point to use as dielectric materials in capacitors or as electrostrictive Maxwell effect transducer materials because of their high hydrogen ion conductivity, the results of these initial dielectric studies as a function of ion content were used to try to understand the effects of a polar plasticizer, water, on dielectric properties of the acid form of this ionomer. This was done before moving on to more tightly bound ions (rather than the hydrogen ions of the sulfonic acid groups used here) and to other polar, less mobile plasticizers (which also interact strongly with the ionic dipoles). The discovery of such high dielectric constants suggested the possibility that low dielectric loss versions of this type of polymer, as well as other members of the class known as ionomers, might find future applications as extremely high dielectric constant materials in capacitors or transducers. Experimental results for films with degrees of sulfonation on the order of 10% or more showed dielectric constants on the order of ?′ ∼ 100,000 but dielectric loss tangents near D = tan δ ∼ 0.3, when the materials were exposed to high humidity conditions. Experiments to determine the effects of water content on the material's dielectric response showed that water can easily move into and out of the films studied and that this transport behavior is strongly correlated to the relative humidity of the environment and to the degree of sulfonation. Water content, in this case, was thus the primary consideration when attempting to understand the observed high dielectric constants in films with degree of sulfonation greater than 5.5%. However, vacuum-dried films were, also, examined and observed to exhibit a dielectric constant on the order of 2 until the degree of sulfonation was greater than 11%. Above this value, the dielectric constant increased by approximately 100% to a value on the order of 4.     

Contribution of oxygen vacancies to the giant dielectric response in Sm1.5Sr0.5NiO4−δ ceramics

The dielectric properties of Sm_1.5Sr_0.5NiO_4?δ ceramics with different concentrations of oxygen vacancies were characterized. The ceramics with lower concentration of oxygen vacancies were prepared by directly sintering the sol–gel derived powders in air, while the higher one could be obtained by annealing the as-sintered ceramics in the flow of nitrogen. The post-densification annealing in the flow of nitrogen decreased the dielectric constant at low temperature and increased it at high temperature, while the dielectric loss increased in overall temperature range. The activation energy of low-temperature dielectric relaxation decreased with increasing the concentration of oxygen vacancies, and so did that of bulk electrical resistances although the values of resistances increased, while the activation energy of electrical resistances for grain boundary increased though the values of resistances decreased. The giant dielectric response in the as-sintered Sm_1.5Sr_0.5NiO_4?δ ceramics should be mainly attributed to the small polaronic hopping process, while that of annealed ceramics should be directly linked to the oxygen vacancies.     

Dipolar correlations and the dielectric permittivity of water

The static dielectric properties of liquid and solid water are investigated within linear response theory in the context of ab initio molecular dynamics. Using maximally localized Wannier functions to treat the macroscopic polarization we formulate a first-principles, parameter-free, generalization of Kirkwood's phenomenological theory. Our calculated static permittivity is in good agreement with experiment. Two effects of the hydrogen bonds, i.e., a significant increase of the average local moment and a local alignment of the molecular dipoles, contribute in almost equal measure to the unusually large dielectric constant of water.     

Photodetachment microscopy of H~- in the magnetic field near different dielectric surfaces

We study the photo-detachment interference patterns of a hydrogen negative ion in the magnetic field near different dielectric surfaces with a semi-classical open orbit theory.We give a clear physical picture describing the photo-detachment of H-in this case.The electron flux distributions are calculated at various dielectric surfaces with unchanged magnetic field strength.It is found that the electron flux distributions of H-are very different in a magnetic field near different dielectric surfaces,namely the dielectric surface has a great influence on the photo-detachment interference pattern of the negative ion.Therefore,the interference pattern in the detached-electron flux distribution can be controlled by changing the dielectric constant.We hope that our studies may guide the future experimental research in photo-detachment microscopy.     

Optical,dielectric and ferroelectric behaviour on doped lithium sulphate crystals

Optically transparent single crystals of urea doped with lithium sulphate (ULS), thiourea doped with lithium sulphate (TLS) and cupric chloride doped with lithium sulphate (CuLS) were grown in aqueous solution by slow evaporation technique at room temperature. Single crystal X-ray diffraction analysis confirmed the changes in the lattice parameters of the ULS, TLS and CuLS. The lattice parameters and the quality of doped crystals were confirmed by powder X-ray diffraction studies. The functional groups present in the ULS, TLS and CuLS crystals were determined qualitatively by using Fourier transform infrared (FTIR) spectroscopy. Optical absorption studies revealed that doped crystals acquire very low absorption in the entire visible region. The energy dispersive X-ray analysis (EDAX) gives the chemical composition of the grown crystal. CHN analysis confirmed the presence of carbon, hydrogen and nitrogen in the added dopants. The dielectric constant and dielectric loss of the doped crystal were studied as a function of frequency and temperature and the ferroelectric property of the crystal was confirmed by dielectric studies.     

Dielectric relaxation study of aqueous 2-ethoxyethanol using time domain reflectometry technique

The complex permittivity spectra of 2-ethoxyethanol in water solutions have been studied at different concentrations and temperatures using a picosecond time domain reflectometry technique. The complex dielectric permittivity spectrum of 2-ethoxyethanol shows Cole-Davidson type behavior. Increase in dielectric relaxation time may be due to increase in hetero molecular interaction strength. Minimum in Excess dielectric constant values provides the information about stable complex adduct. The Kirkwood correlation factor, thermodynamic properties and Bruggeman factor have also been determined and the results are interpreted in terms of hydrogen bonding and interactions among the solute — solvent molecules.     

Influence of the plasma parameters and nitrogen addition on the electrical characteristics of DLC films deposited by inductively coupled plasma deposition

This work has been based on studies of the plasma parameters influence and nitrogen addition over on the electrical characteristics of diamond-like carbon (DLC) films deposited by inductively coupled plasma deposition (ICP) system. For these studies, it was used a mixture of methane with different flows of nitrogen, two different pressure processes and three different coil powers. The nitrogenated DLC films, had presented a great variation in their electric and structural properties with the nitrogen variation in the plasma. With the nitrogen addition, an increase in its dielectric constant of 1.7-7.4 to concentration of the 40% of the nitrogen has occurred. For high nitrogen concentrations (80% of nitrogen), the dielectric constant decreases (of 7.4 for 5.0). The resistivity of the films decreases with the nitrogen concentration increase (1.2 × 10⁹ Ω cm). Attributing semiconductors characteristics to DLC films. With the increase of nitrogen concentration, the sp³ hybridization increases, too. These characteristics were excellent for innumerable applications in electronic devices.