Investigation of thermal expansion and compressibility of rare-earth orthovanadates using a dielectric chemical bond method

The chemical bond properties, lattice energies, linear expansion coefficients, and mechanical properties of ReVO4 (Re = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Sc, Y) are investigated systematically by the dielectric chemical bond theory. The calculated results show that the covalencies of Re-O bonds are increasing slightly from La to Lu and that the covalencies of V-O bonds in crystals are decreasing slightly from La to Lu. The linear expansion coefficients decrease progressively from LaVO4 to LuVO4; on the contrary, the bulk moduli increase progressively. Our calculated results are in good agreement with some experimental values for linear expansion coefficients and bulk moduli.

High-pressure sintered yttria stabilized zirconia ceramics

Fast densification of 8YSZ ceramics under a high pressure of 4.5 GPa was carried out at different temperatures (800, 1000, 1450 degrees C), by which a high relative density above 92% could be obtained. FT-Raman spectra indicate that the 8YSZ underwent a phase transition from partially tetragonal to partially cubic phase as temperatures increase from 1000 to 1450 degrees C when sintering under high pressure. The electrical properties of the samples under different high-pressure sintering conditions were measured by complex impedance method. The total conductivity of 0.92 x 10(-2) S cm(-1) at 800 degrees C has been obtained for 8YSZ under high pressure at 1450 degrees C, which is about 200 degrees C lower than that of the samples prepared by conventional pressureless sintering.

Investigation of Chemical Bond Characteristics, Thermal Expansion Coefficients and Bulk Moduli of alpha-R2MoO6 and R2Mo2O7 (R = rare earths) by Using a Dielectric Chemical Bond Method

Theoretical researches are performed on the alpha-R2MoO6 (R = Y, Gd, Tb Dy, Ho, Er, Tm and Yb) and pyrochlore-type R2Mo2O7 (R = Y, Nd, Sm, Gd, Tb and Dy) rare earth molybdates by using chemical bond theory of dielectric description. The chemical bonding characteristics and their relationship with thermal expansion property and compressibility are explored. The calculated values of linear thermal expansion coefficient (LTEC) and bulk modulus agree well with the available experimental values. The calculations reveal that the LTECs and the bulk moduli do have linear relationship with the ionic radii of the lanthanides: the LTEC decreases from 6.80 to 6.62 10(-6)/K and the bulk modulus increases from 141 to 154 GPa when R goes in the order Gd, Tb Dy, Ho, Er, Tm, and Yb in the alpha-R2MoO6 series; while in the R2Mo2O7 series, the LTEC ranges from 6.80 to 6.61 10(-6)/K and the bulk modulus ranges from 147 to 163 GPa when R varies in the order Nd, Sm, Gd, Tb and Dy.

Synthesis of Titanate-Based Nanotubes for One-Dimensionally Confined Electrical Properties

Structural tailoring for dimensionally confined electrical properties is fundamentally important for nanodevices and the relevant technologies. Titanate-based nanotubes were taken as a prototype one-dimensional material to study. First, Na0.96H1.04Ti3O7 center dot 3.42H(2)O nanotubes were prepared by a simple hydrothermal condition, which converted into Na0.036H1.964Ti3O7 center dot 3.52H(2)O nanotubes by a subsequent acidic rinsing. Systematic sample characterization using combined techniques of X-ray diffraction, field emission scanning electron microscopy, high resolution transmission electron microscopy, electron paramagnetic resonance, Fourier transform infrared spectroscopy, elemental analyses, and alternative current impedance indicated that both nanotubes possessed a scrolled trititanate-type structure with the (200) crystal face predominant on the tube surface. With increasing temperature, both nanotubes underwent a continuous dehydration process, which however imposed different impacts oil the structures and electrical properties, depending on the types of the nanotubes

Investigation on relationship between charge transfer position and dielectric definition of average energy gap in Eu3+-doped compounds

The dielectric definition of average energy gap E-g of the chemical bond has been calculated quantitatively in Eu3+-doped 30 lanthanide compounds based on the dielectric theory of chemical bond for complex structure crystals. The relationship between the experimental charge transfer (CT) energy of Eu3+ and the corresponding average energy gap E-g has been studied. The results show that the CT energy increases linearly with increasing of the average energy gap E-g. The linear model is obtained. It allows us to predict the CT position of Eu3+-doped lanthanide compounds with knowledge of the crystal structure and index of refraction. Applied to the Ca4GdO(BO3)(3):Eu and Li2Lu5O4(BO3)(3):Eu crystals, the predicted results of CT energies are in good agreement with the experimental values, and it can be concluded that the lowest CT energy in Li2Lu5O4(BO3)(3):Eu originates from the site of Lu1.

High-mobility pentacene thin-film transistors with copolymer-gate dielectric

Pentacene thin-film transistors have been obtained using polymethyl-methacrylate-co-glyciclyl-methacrylate (PNIMA-GMA) as the gate dielectric. The optimum active layer thickness in thin-film transistors (OTFTs) was investigated. The present devices show a wide operation voltage range. The on/off current ratio is as high as 10(5). In linear region (V-DS = -2V), the field-effect mobility of device increases with the increase in gate field at low-voltage region (V-G < - 20 V), and a mobility of 0.33 cm(2)/Vs can be obtained when V-G > 20 V. In saturation region, the mobility increases linearly with the gate field, and a high mobility of 1.14 cm(2)/Vs can be obtained at V-G = -95V. The influence of voltage on mobility of device was investigated.

Bottom-contact organic field-effect transistors having low-dielectric layer under source and drain electrodes

An organic thin-film transistor (OTFT) having a low-dielectric polymer layer between gate insulator and source/drain electrodes is investigated. Copper phthalocyanine (CuPc), a well-known organic semiconductor, is used as an active layer to test performance of the device. Compared with bottom-contact devices, leakage current is reduced by roughly one order of magnitude, and on-state current is enhanced by almost one order of magnitude. The performance of the device is almost the same as that of a top-contact device. The low-dielectric polymer may play two roles to improve OTFT performance. One is that this structure influences electric-field distribution between source/drain electrodes and semiconductor and enhances charge injection. The other is that the polymer influences growth behavior of CuPc thin films and enhances physical connection between source/drain electrodes and semiconductor channel. Advantages of the OTFT having bottom-contact structure make it useful for integrated plastic electronic devices.

Multi-color long-lasting phosphorescence in Mn2+-doped ZnO-B2O3-SiO2 glass-ceramics

Multi-color LLP phenomenon was observed in Mn2+-doped ZnO-B2O3-SiO2 glassceramics after the irradiation of a UV lamp at room temperature. Transparent ZnO-B2O3-SiO2 glass emitted reddish LLP while opaque glass-ceramics prepared by the glass sample after heat treatment emitted yellowish or greenish LLP. The change of the phosphorescence is due to the alteration of co-ordination state of Mn2+. The phosphorescence of the samples was seen in the dark with naked eyes even 12 h after the irradiation with a UV lamp (lambda(max) = 254 nm) for 30 min. Based on the approximative t(-1) decay law of the phosphorescence, we suggest that the LLP is attributed to the thermally assisted electron-hole recombination.

Preparation and characteristics of polyimide-TiO2 nanocomposite film

A sol-gel approach has been developed to prepare polyimide-TiO2, hybrid films fi om soluble polyimides and a modified titanium precursor. The rate of the hydrolysis reaction of titanium alkoxide can be controlled by using acetic acid as a modifier. FTIR and XPS indicated that TiO2, particles were well distributed in polyimide matrixes with particle size small per than 60 nm. Polyimide hybrid films having the TiO2, component less than or equal to 10% exhibited high thermal stability, high optical transparency and good mechanical properties and possessed higher dielectric constants than correspondingly polyimides. (C) 2000 Society of Chemical Industry.

CHEMICAL-BONDS AND DIELECTRIC-CONSTANTS OF REM (RE=RARE EARTH, M=N, P, AS, SB) CRYSTALS

By using Pillips and van Vechten theory, the chemical bond parameters and dielectric constants of REM (RE=rare earth, M=N, P, As, Sb) crystals were calculated. The values calculated of dielectric constants agree with the experimental values.

Dielectric response of graded spherical composites

We investigate the effective dielectric responses of graded spherical composites under an external uniform electric field by taking the dielectric function of spherical inclusion, epsilon(i) = cr(k) e(beta r), where r is the inner distance of a point inside the particle from the centre of the spherical particle in the coordination. In the dilute limit, our exact result is used to test the validity of differential effective dipole approximation (DEDA) for estimating the effective response of graded spherical composites and it is shown that the DEDA is in excellent agreement with the exact result.

Dielectric response of graded composites having general power-law-graded cylindrical inclusions

The dielectric response of graded composites having general power-law-graded cylindrical inclusions under a uniform applied electric field is investigated. The dielectric profile of the cylindrical inclusions is modeled by the equation epsilon(i)(r)=c(b+r)(k) (where r is the radius of the cylindrical inclusions and c, b and k are parameters). Analytical solutions for the local electrical potentials are derived in terms of hypergeometric functions and the effective dielectric response of the graded composites is predicted in the dilute limit. Moreover, for a simple power-law dielectric profile epsilon(i)(r) = cr(k) and a linear dielectric profile epsilon(i)(r) = c(b + r), analytical expressions of the electrical potentials and the effective dielectric response are derived exactly from our results by taking the limits b -> 0 and k -> 1, respectively. For a higher concentration of inclusions, the effective dielectric response is estimated by an effective-medium approximation. In addition, we have discussed the effective response of graded cylindrical composites with a more complex dielectric profile of inclusion, epsilon(i)(r)=c(b+r)(k)e(beta r). (c) 2005 American Institute of Physics.

Effective dielectric responses of graded composites of the particles with a general power-law gradation profile

The effective dielectric response of graded spherical composites having general power-law gradient inclusions is investigated under a uniform applied electric field, where the dielectric gradation profile of the spherical inclusions is modeled by the equation epsilon(i) (r) = c(b+r)(k). Analytical solutions of the local electrical potentials are derived in terms of hyper-geometric function and the effective dielectric response of the graded composites is predicted in the dilute limit. From our result, the local potentials of graded spherical composites having both simple power-law dielectric profile epsilon(i)(r) = cr(k) and linear dielectric profile epsilon(i) (r) = c(b+r) are derived exactly by taking the limits b --> 0 and k --> 1, respectively. In the dilute limit, our exact result is used to test the validity of differential effective dipole approximation (DEDA) for estimating the effective response of graded spherical composites, and it is shown that the DEDA is in excellent agreement with exact result. (C) 2005 Elsevier B.V. All rights reserved.