Measurement of the elastic constants of nanometric films

Carbon coatings of thickness down to 2 nanometers are needed to increase the storage density in magnetic hard disks and reach the 100 Gbit/in2 target. Methods to measure the properties of these ultrathin hard films still have to be developed. We show that combining Surface Brillouin Scattering (SBS) andX-ray reflectivity measurements the elastic constants of such films are accessible. Tetrahedral amorphous carbofilms of thickness down to about 2 nm were deposited on Si by an S bend filtered cathodic vacuum arc, achieving a continuous coverage on large areas free of macroparticles. Film thickness and mass density are measured by X-ray reflectivity: densities above 3 g/cm3 are found, indicating a significant sp3 content. The dispersion relations of surface acoustic waves are measured by SBS. We show that for thicknesses above ∼4 nm these waves can be described by a continuum elastic model based on a single homogeneous equivalent film. The elastic constants can then be obtained by fitting the dispersion relations, computed for given film properties, to the measured dispersion relations. For thicknesses of 3 nm or less qualitative differences among films are well measurable, but quantitative results are less reliable. We have thus shown that we can grow and characterise nanometer size tetrahedral amorphous carbon film, which maintain their high density and peculiar mechanical properties down to around 4 nm thickness, satisfying the requirements set for the hard disk coating material.

Generation of SFR few-group constants using the Monte Carlo code serpent

In this study, the Serpent Monte Carlo code was used as a tool for preparation of homogenized few-group cross sections for the nodal diffusion analysis of Sodium cooled Fast Reactor (SFR) cores. Few-group constants for two reference SFR cores were generated by Serpent and then employed by nodal diffusion code DYN3D in 2D full core calculations. The DYN3D results were verified against the references full core Serpent Monte Carlo solutions. A good agreement between the reference Monte Carlo and nodal diffusion results was observed demonstrating the feasibility of using Serpent for generation of few-group constants for the deterministic SFR analysis.

Influences of As flux on the lattice constants, magnetic and transport properties of (Ga, Mn)As epilayers

A series of (Ga, Mn)As epilayers have been prepared on semi-insulating GaAs (001) substrates at 230 degrees C by molecular-beam epitaxy under fixed temperatures of Ga and Mn cells and varied temperatures of the As cell. By systematically studying the lattice constants, magnetic and magneto-transport properties in a self-consistent manner, we find that the concentration of As antisites monotonically increases with increasing As flux, while the concentration of interstitial Mn defects decreases with it. Such a trend sensitively affects the properties of (Ga, Mn)As epilayers. (c) 2006 Elsevier Ltd. All rights reserved.

High-precision determination of lattice constants and structural characterization of InN thin films

X-ray diffraction and Rutherford backscattering/channeling were used to characterize the crystalline quality of an InN layer grown on Al2O3(0001) Using metal-organic chemical-vapor deposition. A full width at half maximum of 0.27 degrees from an InN(0002) omega scan and a minimum yield of 23% from channeling measurements show that this 480-nm-thick InN layer grown at low temperature (450 degrees C) has a relatively good crystalline quality. High-resolution x-ray diffraction indicates that the InN layer contains a small fraction of cubic InN, besides the predominant hexagonal phase. From this InN sample, the lattice constants a=0.353 76 nm and c=0.570 64 nm for the hexagonal InN and a=0.4986 nm for the cubic InN were determined independently. 2 theta/omega-chi mapping and a pole figure measurement revealed that the crystallographic relationship among the cubic InN, the hexagonal InN, and the substrate is: InN[111]parallel to InN[0001]parallel to Al2O3[0001] and InN{110}parallel to InN{1120}parallel to Al2O3{1010}, and that the cubic InN is twinned. Photoluminescence measurements indicate that the band-gap energy of this sample is approximately 0.82 eV. (c) 2006 American Vacuum Society.

Optical constants of cubic GaN/GaAs(001): Experiment and modeling

The optical constants epsilon(E)=epsilon(1)(E)+iepsilon(2)(E) of unintentionally doped cubic GaN grown on GaAs(001) have been measured at 300 K using spectral ellipsometry in the range of 1.5-5.0 eV. The epsilon(E) spectra display a structure, associated with the critical point at E-0 (direct gap) and some contribution mainly coming from the E-1 critical point. The experimental data over the entire measured spectral range (after oxide removal) has been fit using the Holden-Munoz model dielectric function [M. Munoz et al., J. Appl. Phys. 92, 5878 (2002)]. This model is based on the electronic energy-band structure near critical points plus excitonic and band-to-band Coulomb-enhancement effects at E-0, E-0 + Delta(0) and the E-1, E-1 + Delta(1), doublet. In addition to evaluating the energy of the E-0 critical point, the binding energy (R-1) of the two-dimensional exciton related to the E-1 critical point was estimated using the effective mass/k.p theory. The line, shape of the imaginary part of the cubic-GaN dielectric function shows excitonic effects at room temperature not withstanding that the exciton was not resolved. (C) 2003 American Institute of Physics.

CALCULATION OF DIELECTRIC-CONSTANTS FOR SEMICONDUCTORS - AN APPLICATION OF ABINITIO PSEUDOPOTENTIAL METHOD

We have used ab initio pseudopotential method to generate basis wavefunctions and eigen energies to carry out first principle calculations of the static macroscopic dielectric constant for GaAs and GaP. The resulted converged random phase approximation (RPA) value is 12.55 and 10.71, in excellent agreement to the experimental value of 12.4 and 10.86, respectively. The inclusion of the exchange correlation contribution makes the calculated result slightly worsen. A convergence test with respect to the number of k points in Brillouin zone (BZ) integration was carried out. Sixty irreducible BZ k points were used to achieve the converged results. Integration with only 10 special k points increased the RPA value by 15%.

Synthesis of Pd/C catalysts with designed lattice constants for the electro-oxidation of formic acid

Pd/C catalysts with designed lattice constants were synthesized for the electro-oxidation of formic acid. By changing the solvents in the preparation procedure, it was demonstrated that the different lattice constants of Pd crystallites could be controlled as desired. The varied lattice constants may be attributed to the difference in the interactions between solvents and PdCl2. it was found that the lattice constant had an obvious effect on the electro-catalytic performance of Pd.

Correlation analysis of the structures and stability constants of gadolinium(III) complexes

To simplify the abstraction of descriptors, for the correlation analysis of the stability constants of gadolinium(III) complexes and their ligand structures, aiming at gadolinium(III) complexes, we only considered the ligands and ignored the common parts of the structures, i.e., the metal ions. Quantum-chemical descriptors and topological indices were calculated to describe the structures of the ligands. Multiple regression analysis and neural networks were applied to construct the models between the ligands and the stability constants of gadolinium(III) complexes and satisfactory results were obtained.

Determination of some basic constants of sec-octylphenoxy acetic acid

In this work some basic constants of extractant Sec-Octylphenoxy acetic acid (CA-12) such as solubility (S) in water, dissociation constant (K-a) in aqueous solution, dimerization constant( K-2) and distribution constant (K-d) between water and haptane have been determined by two phase titration method. The results are as follows: S = 1.40 x 10(-4) mol/L, K-a = 3.02 x 10(-4), K-2 = 3.56 x 10(2), K-d = 4.06 x 10(2) (25 +/-0.5 degreesC).

Microelectrode voltammetric measurement of heterogeneous electron transfer rate constants for reduction of 7,7,8 ',8 '-tetracyanoquinodimethane in polymer electrolytes

This paper presents a microelectrode voltammetric determination of heterogeneous electron transfer rate constants (k(s)) and diffusion coefficients (D) of 7,7,8',8 '-tetracyanoquinodimethane (TCNQ) in polyelectrolytes. The diffusion coefficients are estimated using cyclic voltammetry under linear diffusion conditions, and the heterogeneous electron transfer rate constants are obtained under mixed linear and radial diffusion in the polyelectrolyte. k(s) and D increase with increasing temperature, and the activation barriers of the electrode reaction for reduction of TCNQ are obtained. On the other hand, the dependencies of D and k(s) of TCNQ on the size and charge of the counterion are compared in the polyelectrolyte. (C) 1998 Elsevier Science Ltd. All rights reserved.

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.