All-organic dielectric-percolative three-component composite materials with high electromechanical response

By combining the high-dielectric copper phthalocyanine oligomer (PolyCuPc) and conductive polyanline (PANI) within polyurethane (PU) matrix an all-organic three-component dielectric-percolative composite with high dielectric constant is demonstrated. In this three-component composite system, the high-dielectric-constant PolyCuPc particulates enhance the dielectric constant of the PU matrix and this combined two-component dielectric matrix in turn serves as the high-dielectric-constant host for the PANI to realize percolative phenomenon and further enhance the dielectric response. As a result, an electromechanical strain of 9.3% and elastic energy density of 0.4 J/cm(3) under an electric field of 20 V/mum can be induced

Dependence of exciton transition energy of single-walled carbon nanotubes on surrounding dielectric materials

We theoretically investigate the dependence of exciton transition energies on dielectric constant of surrounding materials. We make a simple model for the relation between dielectric constant of environment and a static dielectric constant describing the effects of electrons in core states, $\sigma$ bonds and surrounding materials. Although the model is very simple, calculated results well reproduce experimental transition energy dependence on dielectric constant of various surrounding materials.Comment: 5pages, 4 figure

Electronic, dielectric and optical properties of two dimensional and bulk ice: a multi-scale simulation study

The intercalated water into nanopores exhibits anomalous properties such as ultralow dielectric constant.~Multi-scale modeling and simulations are used to investigate the dielectric properties of various crystalline two-dimensional ices and bulk ices. Although, the structural properties of two-dimensional (2D-) ices have been extensively studied, much less is known about their electronic and optical properties. First, by using density functional theory (DFT) and density functional perturbation theory (DFPT), we calculate the key electronic, optical and dielectric properties of 2D-ices. Performing DFPT calculations, both the ionic and electronic contributions of the dielectric constant are computed. The in-plane electronic dielectric constant is found to be larger than the out-of-plane dielectric constant for all the studied 2D-ices. The in-plane dielectric constant of the electronic response is found to be isotropic for all the studied ices. Secondly, we determined the dipolar dielectric constant of 2D-ices using molecular dynamics simulations (MDS) at finite temperature. The total out-of-plane dielectric constant is found to be larger than 2 for all the studied 2D-ices. Within the framework of the random-phase approximation (RPA), the absorption energy ranges for 2D-ices are found to be in the ultraviolet spectra. For the comparison purposes, we also elucidate the electronic, dielectric and optical properties of four crystalline ices (ice VIII, ice XI, ice Ic and ice Ih) and bulk water

Effects of Ion Solvation on the Miscibility of Binary Polymer Blends

We study the effects of adding salt ions on the miscibility of a binary blend of polymers having different dielectric constants. The competition between the preference of the ions to be solvated by the component of the higher dielectric constant and the entropic tendency for the ions to be distributed uniformly results in nontrivial effects on the miscibility. We first study the thermodynamics of the polymer blend−ion mixture using a simple Born model in a uniform dielectric medium of the average composition of the polymer blend. We then study the effect of local enrichment of the higher dielectric constant polymer near the ion. We find that when the dielectric constants of the polymers are both low, adding salt decreases the miscibility, while when the dielectric constants of the polymers are both high, the addition of salt enhances the miscibility. When the blend consists of a high dielectric constant polymer and a low dielectric constant polymer, miscibility is decreased if the low dielectric constant component is the majority and is increased if the high dielectric constant component is the majority. The effect becomes significant at ion concentrations corresponding to an order of one ion per polymer chain. The quantitative change in the effective χ parameter depends on the functional form of the composition dependence of the dielectric constant of the mixture. We also illustrate the difference between fixed ion concentration and fixed chemical potential of the ions

Growth Stress Induced Tunability of Dielectric Constant in Thin Films

It is demonstrated here that growth stress has a substantial effect on the dielectric constant of zirconia thin films. The correct combination of parameters - phase, texture and stress - is shown to yield films with high dielectric constant and best reported equivalent oxide thickness of 0.8 nm. The stress effect on dielectric constant is twofold, firstly, by the effect on phase transitions and secondly by the effect on interatomic distances. We discuss and explain the physical mechanisms involved in the interplay between the stress, phase changes and the dielectric constant in detail.Comment: 11 pages, 5 figure

The dielectric constant of UO2 below the Néel point

We report measurements of the frequency-dependent dielectric constant of UO2 from 4.2 K to above the phase transition at 30 K. The static dielectric constant of 23.6 at 4.2 K is comparable with accepted values at higher temperatures: it is essentially identical in both phases. The effects of undergoing the transition on the dielectric constant are marginal (about 1%) and take place in the temperature range 29 K to 37 K. The displacement of the oxygen sublattice, which occurs at the Ne´el point, should produce only a 0.05% change on the dielectric constant and of the opposite sense to that measured. Hence the structural changes at the transition are not the primary source of the observed small difference between the dielectric constant in the two phases which probably accrues from the influence of the displacements on a defect-related contribution

A simple electrostatic model applicable to biomolecular recognition

An exact, analytic solution for a simple electrostatic model applicable to biomolecular recognition is presented. In the model, a layer of high dielectric constant material (representative of the solvent, water) whose thickness may vary separates two regions of low dielectric constant material (representative of proteins, DNA, RNA, or similar materials), in each of which is embedded a point charge. For identical charges, the presence of the screening layer always lowers the energy compared to the case of point charges in an infinite medium of low dielectric constant. Somewhat surprisingly, the presence of a sufficiently thick screening layer also lowers the energy compared to the case of point charges in an infinite medium of high dielectric constant. For charges of opposite sign, the screening layer always lowers the energy compared to the case of point charges in an infinite medium of either high or low dielectric constant. The behavior of the energy leads to a substantially increased repulsive force between charges of the same sign. The repulsive force between charges of opposite signs is weaker than in an infinite medium of low dielectric constant material but stronger than in an infinite medium of high dielectric constant material. The presence of this behavior, which we name asymmetric screening, in the simple system presented here confirms the generality of the behavior that was established in a more complicated system of an arbitrary number of charged dielectric spheres in an infinite solvent.Comment: 15 pages, 6 figure

Dielectric behavior of Copper Tantalum Oxide

A thorough investigation of the dielectric properties of Cu2Ta4O12, a material crystallizing in a pseudo-cubic, perovskite-derived structure is presented. We measured the dielectric constant and conductivity of single crystals in an exceptionally broad frequency range up to GHz frequencies and at temperatures from 25 - 500 K. The detected dielectric constant is unusually high (reaching values up to 105) and almost constant in a broad frequency and temperature range. Cu2Ta4O12 possesses a crystal structure similar to CaCu3Ti4O12, the compound for which such an unusually high dielectric constant was first observed. An analysis of the results using a simple equivalent circuit and measurements with different types of contact revealed that extrinsic interfacial polarization effects, derived from surface barrier capacitors are the origin of the observed giant dielectric constants. The intrinsic properties of Cu2Ta4O12 are characterized by a (still relatively high) dielectric constant in the order of 100 and by charge transport via hopping conduction of Anderson-localized charge carriers.Comment: 18 pages, 6 figures, submitted to Jouranl of Physical Chemestr