Showing papers on "Dielectric published in 2003"

The Optical Properties of Metal Nanoparticles: The Influence of Size, Shape, and Dielectric Environment

Abstract: The optical properties of metal nanoparticles have long been of interest in physical chemistry, starting with Faraday's investigations of colloidal gold in the middle 1800s. More recently, new lithographic techniques as well as improvements to classical wet chemistry methods have made it possible to synthesize noble metal nanoparticles with a wide range of sizes, shapes, and dielectric environments. In this feature article, we describe recent progress in the theory of nanoparticle optical properties, particularly methods for solving Maxwell's equations for light scattering from particles of arbitrary shape in a complex environment. Included is a description of the qualitative features of dipole and quadrupole plasmon resonances for spherical particles; a discussion of analytical and numerical methods for calculating extinction and scattering cross-sections, local fields, and other optical properties for nonspherical particles; and a survey of applications to problems of recent interest involving triangula...

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.

Abstract: Molecular mechanics models have been applied extensively to study the dynamics of proteins and nucleic acids. Here we report the development of a third-generation point-charge all-atom force field for proteins. Following the earlier approach of Cornell et al., the charge set was obtained by fitting to the electrostatic potentials of dipeptides calculated using B3LYP/cc-pVTZ//HF/6-31G** quantum mechanical methods. The main-chain torsion parameters were obtained by fitting to the energy profiles of Ace-Ala-Nme and Ace-Gly-Nme di-peptides calculated using MP2/cc-pVTZ//HF/6-31G** quantum mechanical methods. All other parameters were taken from the existing AMBER data base. The major departure from previous force fields is that all quantum mechanical calculations were done in the condensed phase with continuum solvent models and an effective dielectric constant of e = 4. We anticipate that this force field parameter set will address certain critical short comings of previous force fields in condensed-phase simulations of proteins. Initial tests on peptides demonstrated a high-degree of similarity between the calculated and the statistically measured Ramanchandran maps for both Ace-Gly-Nme and Ace-Ala-Nme di-peptides. Some highlights of our results include (1) well-preserved balance between the extended and helical region distributions, and (2) favorable type-II poly-proline helical region in agreement with recent experiments. Backward compatibility between the new and Cornell et al. charge sets, as judged by overall agreement between dipole moments, allows a smooth transition to the new force field in the area of ligand-binding calculations. Test simulations on a large set of proteins are also discussed. © 2003 Wiley Periodicals, Inc. J Comput Chem 24: 1999–2012, 2003

Broadband dielectric spectroscopy

Abstract: A. Schoenhals, F. Kremer: Theory of Dielectric Relaxation.- F. Kremer, A. Schoenhals: Broadband Dielectric Measurement Techniques.- A. Schoenhals, F. Kremer: Analysis of Dielectric Spectra.- F. Kremer, A. Schoenhals: The Scaling of the Dynamics of Glasses and Supercooled Liquids.- P. Lunkenheimer, A. Loidl:Glassy Dynamics Beyond the a-Relaxation.- F. Kremer, A. Huwe, A. Schoenhals, S. Rozanski: Molecular Dynamics in Confining Space.- A. Schoenhals: Molecular Dynamics in Polymer Model Systems.- G. Floudas: Effect of Pressure on the Dielectric Spectra of Polymeric Systems.- J. Mijovich: Dielectric Spectroscopy of Reactive Polymeric Systems.- F. Kremer, A. Schoenhals: Collective and Molecular Dynamics of (Polymeric) Liquid Crystals.- L. Hartmann, K. Fukao, F. Kremer: Molecular Dynamics in thin Polymer Layers.- F. Kremer, S. Rozanski: The Dielectric Poperties of Semiconducting Disordered Solids.- P.A.M. Steeman, J. v. Turnhout: The Dielectric Properties of Inhomogeneous Media.- R. Boehmer, G. Diezemann: Principles and Applications of Pulsed Dielectric Spectroscopy and Nonresonant Dielectric Hole Burning.- R. Richert: Local Dielectric Relaxation by Solvation Dynamics.- T. Pakula: Dielectric and Dynamic Mechanical Spectroscopy-A Comparison.- R. Boehmer, F. Kremer: Dielectric and (Multidimensional) NMR Spectroscopy-A Comparison.- A. Arbe, J. Colmenero, D. Richter: Polymer Dynamics by Dielectric Spectroscopy and Neutron Scattering-A Comparison

Low dielectric constant materials for microelectronics

Abstract: The ever increasing requirements for electrical performance of on-chip wiring has driven three major technological advances in recent years. First, copper has replaced Aluminum as the new interconnect metal of choice, forcing also the introduction of damascene processing. Second, alternatives for SiO2 with a lower dielectric constant are being developed and introduced in main stream processing. The many new resulting materials needs to be classified in terms of their materials characteristics, evaluated in terms of their properties, and tested for process compatibility. Third, in an attempt to lower the dielectric constant even more, porosity is being introduced into these new materials. The study of processes such as plasma interactions and swelling in liquid media now becomes critical. Furthermore, pore sealing and the deposition of a thin continuous copper diffusion barrier on a porous dielectric are of prime importance. This review is an attempt to give an overview of the classification, the character...

Ferroelectric materials for microwave tunable applications

Abstract: A review of the properties of ferroelectric materials that are relevant to microwave tunable devices is presented: we discuss the theory of dielectric response of tunable bulk materials and thin films; the experimental results from the literature and from own work are reviewed; the correspondence between the theoretical results and the measured properties of tunable materials is critically analyzed; nominally pure, real (defected), and composite bulk materials and thin films are addressed. In addition, techniques for characterization of tunable ferroelectrics and applications of these materials are briefly presented.

Long-Range Resonance Energy Transfer in Molecular Systems

Abstract: The current state of understanding of molecular resonance energy transfer (RET) and recent developments in the field are reviewed. The development of more general theoretical approaches has uncovered some new principles underlying RET processes. This review brings many of these important new concepts together into a generalization of Forster's original theory. The conclusions of studies investigating the various approximations in Forster theory are summarized. Areas of present and future activity are discussed. The review covers Forster theory for donor-acceptor pairs and electronic coupling for singlet-singlet, triplet-triplet, and superexchange-mediated energy transfer. This includes the transition density picture of Coulombic coupling as well as electronic coupling between molecular aggregates (excitons). Spectral overlaps and ensemble energy transfer rates in disordered aggregates, the role of dielectric properties of the medium, weak versus strong coupling, and new models for energy transfer in complex molecular assemblies are also described.

Base-Metal Electrode-Multilayer Ceramic Capacitors: Past, Present and Future Perspectives

Abstract: Multilayer ceramic capacitor (MLCC) production and sales figures are the highest among fine-ceramic products developed in the past 30 years. The total worldwide production and sales reached 550 billion pieces and 6 billion dollars, respectively in 2000. In the course of progress, the development of base-metal electrode (BME) technology played an important role in expanding the application area. In this review, the recent progress in MLCCs with BME nickel (Ni) electrodes is reviewed from the viewpoint of nonreducible dielectric materials. Using intermediate-ionic-size rare-earth ion (Dy2O3, Ho2O3, Er2O3, Y2O3) doped BaTiO3 (ABO3)-based dielectrics, highly reliable Ni-MLCCs with a very thin layer below 2 µm in thickness have been developed. The effect of site occupancy of rare-earth ions in BaTiO3 on the electrical properties and microstructure of nonreducible dielectrics is studied systematically. It appears that intermediate-ionic-size rare-earth ions occupy both A- and B-sites in the BaTiO3 lattice and effectively control the donor/acceptor dopant ratio and microstructural evolution. The relationship between the electrical properties and the microstructure of Ni-MLCCs is also presented.

Pentacene thin film transistors on inorganic dielectrics: Morphology, structural properties, and electronic transport

Abstract: The structural and transport properties of evaporated pentacene organic thin film transistors (TFTs) are reported, and they show the influence of the deposition conditions with different inorganic dielectrics. Dielectrics compatible with large area fabrication were explored to facilitate low cost electronics on glass or flexible plastic substrates. X-ray diffraction and atomic force microscopy show a clear correlation between the morphology and the structure of the highly polycrystalline films for all dielectrics investigated. The roughness of the dielectric has a distinct influence on the morphology and the structural properties, whereas the films on smooth thermal oxide are in general highly ordered and independent of the deposition conditions. The ordered films exhibit a “thin film” and a bulk phase, and the bulk phase volume fraction increases with the deposition temperature and the film thickness. Careful control of the deposition conditions gives virtually identical films on thermal oxide and silico...

Low-k Insulators as the Choice of Dielectrics in Organic Field-Effect Transistors

Abstract: In this paper, we present a new effect influencing the operation of organic field-effect transistors resulting from the choice of gate insulator material. In a series of studies it was found that the interaction between the insulator and the semiconductor materials plays an important role in carrier transport. The insulator is not only capable of affecting the morphology of the semiconductor layer, but can also change the density of states by local polarization effects. Carrier localization is enhanced by insulators with large permittivities, due to the random dipole field present at the interface. We have investigated this effect on a number of disordered organic semiconductor materials, and show here that significant benefits are achievable by the use of low-k dielectrics as opposed to the existing trend of increasing the permittivity for low operational voltage. We also discuss fundamental differences in the case of field-effect transistors with band-like semiconductors.

The relaxational properties of compositionally disordered ABO3 perovskites

Abstract: Random lattice disorder produced by chemical substitution in ABO3 perovskites can lead to the formation of dipolar impurities and defects that have a profound influence on the static and dynamic properties of these materials that are the prototypical soft ferroelectric (FE) mode systems. In these highly polarizable host lattices, dipolar entities form polar nanodomains whose size is determined by the dipolar correlation length, rc, of the host and that exhibit dielectric relaxation in an applied ac field. In the very dilute limit (< 0.1at.%) each domain behaves as a non-interacting dipolar entity with a single relaxation time. At higher concentrations of disorder, however, the domains can interact leading to more complex relaxational behaviour. Among the manifestations of such behaviour is the formation of a glass-like relaxor (R) state, or even an ordered FE state for a sufficiently high concentration of overlapping domains. After a brief discussion of the physics of random-site electric dipoles in dielectrics, this review begins with the simplest cases, namely the relaxational properties of substitutional impurities (e.g., Mn, Fe and Ca) in the quantum paraelectrics KTaO3 and SrTiO3. This is followed by discussions of the relaxational properties of Li-and Nb-doped KTaO3 and of the strong relaxors in the PbMg1/3Nb2/3O3 and La-substituted PbZr1−xTixO3 families. Some emphasis will be on the roles of pressure and applied dc biasing electric fields in understanding the physics of these materials including the R-to-FE crossover.

Infrared dielectric functions and phonon modes of high-quality ZnO films

Abstract: Infrared dielectric function spectra and phonon modes of high-quality, single crystalline, and highly resistive wurtzite ZnO films were obtained from infrared (300–1200 cm−1) spectroscopic ellipsometry and Raman scattering studies. The ZnO films were deposited by pulsed-laser deposition on c-plane sapphire substrates and investigated by high-resolution x-ray diffraction, high-resolution transmission electron microscopy, and Rutherford backscattering experiments. The crystal structure, phonon modes, and dielectric functions are compared to those obtained from a single-crystal ZnO bulk sample. The film ZnO phonon mode frequencies are highly consistent with those of the bulk material. A small redshift of the longitudinal optical phonon mode frequencies of the ZnO films with respect to the bulk material is observed. This is tentatively assigned to the existence of vacancy point defects within the films. Accurate long-wavelength dielectric constant limits of ZnO are obtained from the infrared ellipsometry anal...

Nonlinear properties of left-handed metamaterials.

Abstract: We analyze the properties of microstructured materials with negative refraction, the so-called left-handed metamaterials. We consider a two-dimensional periodic structure created by arrays of wires and split-ring resonators embedded into a nonlinear dielectric, and calculate the effective nonlinear electric permittivity and magnetic permeability. We demonstrate that the hysteresis-type dependence of the magnetic permeability on the field intensity allows changing the material properties from left- to right-handed and back. These effects can be treated as the second-order phase transitions in the transmission properties induced by the variation of an external field.

The giant electrorheological effect in suspensions of nanoparticles.

Abstract: Electrorheology (ER) denotes the control of a material's flow properties (rheology) through an electric field1,2,3,4,5,6,7,8,9,10. We have fabricated electrorheological suspensions of coated nanoparticles that show electrically controllable liquid–solid transitions. The solid state can reach a yield strength of 130 kPa, breaking the theoretical upper bound on conventional ER static yield stress that is derived on the general assumption that the dielectric and conductive responses of the component materials are linear. In this giant electrorheological (GER) effect, the static yield stress displays near-linear dependence on the electric field, in contrast to the quadratic variation usually observed11,12,13,14,15,16. Our GER suspensions show low current density over a wide temperature range of 10–120 °C, with a reversible response time of <10 ms. Finite-element simulations, based on the model of saturation surface polarization in the contact regions of neighbouring particles, yield predictions in excellent agreement with experiment.

Actuation Response of Polyacrylate Dielectric Elastomers

Abstract: Polyacrylate dielectric elastomers have yielded extremely large strain and elastic energy density suggesting that they are useful for many actuator applications. A thorough understanding of the phy...

Dielectric spectroscopy in time and frequency domain for HV power equipment. I. Theoretical considerations

Abstract: Most dangerous breakdowns are caused by the aging effects of HV insulation systems used within HV components, and there is still a lack of appropriate tools to diagnose such systems non-destructively and reliably in the field. This review introduces the theoretical background of dielectric spectroscopy in the time and frequency domains and provides an overview about the specific measuring methods based on this background. The specific methods treated are used for diagnosing electric insulation materials used in power engineering. It indicates that some of these methods may not be sufficient to gain full information about the actual conditions of a test object and that either measurements of polarization and depolarization currents (PDC in the time domain or measurements of C-tan/spl delta/ values (or complex permittivity) in the frequency domain (FDS) should be preferred to obtain a "dielectric response function" which offers much more information to judge the actual state of an insulation material or system.

Controlling the surface enhanced Raman effect via the nanoshell geometry

Abstract: Systematic variation of the internal geometry of a dielectric core-metal shell nanoparticle allows the local electromagnetic field at the nanoparticle surface to be precisely controlled. The strength of the field as a function of core and shell dimension is measured by monitoring the surface enhanced Raman scattering (SERS) response of nonresonant molecular adsorbates (para-mercaptoaniline) bound to the nanoparticle surface. The SERS enhancement appears to be directly and exclusively due to nanoparticle geometry. Effective SERS enhancements of 106 are observable in aqueous solution, which correspond to absolute enhancements of 1012 when reabsorption of Raman emission by nearby nanoparticles is taken into account.

Dielectrics in electric fields

Abstract: 1. Introductory Concepts 2. Polarization and Static Dielectric Constant 3. Dielectric Loss and Relaxation-I 4. Dielectric Loss and Relaxation-II 5. Experimental Data (Frequency Domain) 6. Absorption and Desorption Currents 7. Field Enhanced Conduction 8. Fundamental Aspects of Gaseous Breakdown-I 9. Fundamental Aspects of Electrical Breakdown-II 10. Thermally Stimulated Processes 11. Space Charge in Solids Dielectrics

Large Piezoelectric Constant and High Curie Temperature of Lead-Free Piezoelectric Ceramic Ternary System Based on Bismuth Sodium Titanate-Bismuth Potassium Titanate-Barium Titanate near the Morphotropic Phase Boundary

Abstract: A lead-free piezoelectric ceramic ternary system based on bismuth sodium titanate, (Bi1/2Na1/2)TiO3 (BNT) - bismuth potassium titanate (Bi1/2K1/2)TiO3 (BKT) - barium titanate BaTiO3 (BT) near the morphotropic phase boundary (MPB) between the tetragonal and rhombohedral phases has been investigated. In the case of a(Bi1/2Na1/2)TiO3–bBaTiO3–c(Bi1/2K1/2)TiO3 [BNBK(100a/100b/100c)] solid solution ceramics, the highest piezoelectric constant d33=191 pC/N, Curie temperature, Tc=301°C, electromechanical coupling factor, k33=0.56 and dielectric constant, e33T/e0=1141 are observed for the BNBK(85.2/2.8/12) composition which has a tetragonal phase near the MPB. The d33 value is the highest so far reported for all lead-free piezoelectric ceramics with Tc>300°C. The BNT-BKT-BT ternary ceramics system sintered at 1200°C for 2 h in air has a pure perovskite structure and a high density more than 95% of the theoretical density.

Selective gas detection using a carbon nanotube sensor

Abstract: A circular disk resonator is used to study the gas sensing properties of carbon nanotubes. It detects the presence of gases based on the change in the dielectric constant rather than electrical conductivity of single walled carbon nanotubes (SWNTs) upon gas exposure. A conducting circular disk is coated with electric arc prepared SWNTs and degassed by heating under a high vacuum. It exhibits noticeable shifts in resonant frequency to both polar (NH3 and CO) and nonpolar gases (He, Ar, N2, and O2). Gas concentrations as low as 100 ppm can be detected using this sensor configuration.

Mechanical Enhancement of Dense and Porous Organosilicate Materials by UV Exposure

Abstract: Low dielectric materials and films comprising same have been identified for improved performance when used as interlevel dielectrics in integrated circuits as well as methods for making same. In one aspect of the present invention, an organosilicate glass film is exposed to an ultraviolet light source wherein the film after exposure has an at least 10% or greater improvement in its mechanical properties (i.e., material hardness and elastic modulus) compared to the as-deposited film.

Method to enhance performance of thermal resistor device

Abstract: An apparatus including a contact on a substrate, a dielectric material overlying the contact, a phase change element overlying the dielectric material on a substrate, and a heater element disposed in the dielectric material and coupled to the contact and the phase change element, wherein a portion of the dielectric material comprises a thermal conductivity less than silicon dioxide. A method including introducing over a contact formed on a substrate, a dielectric material, a portion of which comprises a thermal conductivity less than silicon dioxide, introducing a heater element through the dielectric material to the contact, and introducing a phase change material over the dielectric material and the heater element.

Thermochemical description of dielectric breakdown in high dielectric constant materials

Abstract: A thermochemical/molecular model is developed for breakdown in high dielectric constant materials and the model suggests that a fundamental relationship exists between dielectric breakdown strength (Ebd) and dielectric constant (k). The model indicates that Ebd should show an approximate (k)−1/2 dependence over a wide range of high dielectric constant materials. The model also predicts that the field-acceleration parameter (γ), from time-dependent dielectric breakdown (TDDB) testing, should increase with dielectric constant. TDDB and Ebd data are presented for model support. The thermochemical model suggests that the very high local electric field (Lorentz-relation/Mossotti-field) in high-k dielectrics tends to distort/weaken the polar molecular bonds making them more susceptible to bond breakage by standard Boltzmann processes and/or by hole capture and thus lowers the breakdown strength.

Trends in the ultimate breakdown strength of high dielectric-constant materials

Abstract: The ultimate breakdown strength E/sub bd/ of a dielectric material is found to decrease as the dielectric-constant k increases. A thermochemical description of the ultimate breakdown strength of high-k dielectrics suggests that E/sub bd/ should reduce approximately as (k)/sup -1/2/ over a wide range of dielectric materials while the field-acceleration parameter /spl gamma/ should increase in similar but inverse manner. New time-dependent dielectric breakdown (TDDB) data are presented over a wide range of dielectric materials and E/sub bd/ was found to decrease as (k)/sup -0.65/ while /spl gamma/ increases as (k)/sup 0.66/. The good agreement between thermochemical theory and high-k TDDB observations suggests that the very high local electric field (Lorentz-relation/Mossotti-field) in high-k dielectrics tends to distort/weaken the polar molecular bonds making them more susceptible to bond breakage by standard Boltzmann processes and/or by hole-capture and thus lowers the breakdown strength.

Lanthanide oxide / hafnium oxide dielectric layers

Abstract: Dielectric layers containing an atomic layer deposited hafnium oxide and an electron beam evaporated lanthanide oxide and a method of fabricating such a dielectric layer produce a reliable dielectric layer having an equivalent oxide thickness thinner than attainable using SiO 2 . Forming a layer of hafnium oxide by atomic layer deposition and forming a layer of a lanthanide oxide by electron beam evaporation, where the layer of hafnium oxide is adjacent and in contact with the layer of lanthanide, provides a dielectric layer with a relatively high dielectric constant as compared with silicon oxide. The dielectric can be formed as a nanolaminate of hafnium oxide and a lanthanide oxide.

Extrinsic models for the dielectric response of CaCu3Ti4O12

Abstract: The large, temperature-independent, low-frequency dielectric constant recently observed in single-crystal CaCu3Ti4O12 is most plausibly interpreted as arising from spatial inhomogenities of its local dielectric response Probable sources of inhomogeneity are the various domain boundaries endemic in such materials: twin, Ca ordering, and antiphase boundaries The material in, and neighboring, such boundaries can be insulating or conducting We construct a decision tree for the resulting six possible morphologies, and derive or present expressions for the dielectric constant for models of each morphology We conclude that all six morphologies can yield dielectric behavior consistent with observations Thus, present experimental findings are insufficient to establish the internal morphology responsible for the remarkable properties of CaCu3Ti4O12, and we suggest further experiments to distinguish among them