Materials Literature
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In this paper we examine the electronic and geometrical structure of impurity-vacancy complexes in Si and Ge. Already Watkins suggested that in Si the pairing of Sn with the vacancy produces a complex with the Sn-atom at the bond center and the vacancy split into two half vacancies on the neighboring sites. Within the…
The temperature dependence of the x-ray structure factor for ${\mathrm{S}\mathrm{i}\mathrm{O}}_{2}$ glass was measured at several pressures up to 19.2 GPa. The position of the first sharp diffraction peak moved to a higher momentum transfer as the temperature increased in a specific pressure-temperature range. The int…
Complete Raman excitation profiles for single-walled carbon nanotube radial breathing modes were obtained for bundled $\mathrm{HiPco}$ carbon nanotube samples in the region from 700 to $985\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$ excitation. Results are compared to similar profiles generated from individual carbon nano…
A new finite-size scaling approach based on the transfer matrix method is developed to calculate the critical temperature of anisotropic two-layer Ising ferromagnet, on strips of r wide sites of square lattices. The reduced internal energy per site has been accurately calculated for the ferromagnetic case, with the ne…
A detailed investigation of the Raman response of the inner tube radial breathing modes (RBMs) in double-wall carbon nanotubes is reported. It revealed that the number of observed RBMs is two to three times larger than the number of possible tubes in the studied frequency range. This unexpected increase in Raman lines…
In this paper a simple (2+1) solid-on-solid model of the epitaxial films growth based on random deposition followed by breaking particle-particle lateral bonds and particles surface diffusion is introduced. The influence of the critical number of the particle-particle lateral bonds $z$ and the deposition rate on the s…
Abstract Summary: The mechanisms involved in rubber reinforcement are discussed. A better molecular understanding of these mechanisms can be obtained by combining characterization of the mechanical behavior with an analysis of the chain segmental orientation accompanying deformation. While the strain dependence of the…
Classification of glass-forming liquids based on the dramatic change in their properties upon approach to the glassy state is appealing, since this is the most conspicuous and often-studied aspect of the glass transition. Herein, we show that a generalized scaling, log (tau) proportional, variant T-1 V-gamma, where ga…
The comparative investigation of pyroelectric response modulation frequency dependences of structures of "polar active film-Si substrate" type based on PZT and PVDF and of structures of "polar active film - buffer layer - Si substrate" type based on PZT and porous silicon (por-Si) has been carried out. By photopyroele…
Hysteresis effects of the fundamental energy gap as a function of applied magnetic field are studied for metamagnetic EuSe layers grown by molecular-beam epitaxy. Below the phase transition temperature, the energy gap show large step-like red shifts of up to 150meV with increasing magnetic field with pronounced hyster…
The photovoltaic effect (PVE) of a heterojunction composed of a La0.7Ce0.3MnO3 (LCE) film and a 0.5wt.% Nb-doped SrTiO3 crystal has been experimentally studied. A strong PVE was observed, and the maximum photovoltage was ∼54.1mV, when the LCE film was exposed to light with a wavelength (λ) of 460nm and a power of ∼6.5…
Al 0.49 Ga 0.51 N ∕ Al 0.16 Ga 0.84 N distributed Bragg reflectors (DBRs), designed for the ultraviolet spectral region, are reported. The crack-free structures are grown on sapphire substrates by metalorganic chemical vapor deposition. A peak reflectivity of 91% at 353nm with a stop-band width of 17nm was obtained at…
Fusion reactors create extreme conditions for structures close to the plasma. It seems unlikely that materials currently being considered can meet all performance requirements under such conditions. We explore the possibility of separating functionality in composite structures to overcome this barrier. To this end, se…
Vertically aligned nanocluster wires (NCWs) were synthesized on indium-tin-oxide-coated glass substrates via the thermal decomposition of Fe(CO)5 with a resistive heater under a magnetic field. The density of the aligned NCWs was controlled by varying the flow rate of the carrier gas. The low-density NCWs showed bette…
Segregation of the cation substitution defects Ba 2+ , Sr 2+ , Ce 4+ and Zr 4+ to the stable low index surfaces of UO 2 has been predicted using atomistic simulation techniques. While Ce 4+ and Zr 4+ substitute simply for U 4+ , charge compensation in the form of oxygen vacancies is required in the case of Ba 2+ and S…
Phase transformations in 2xxx series aluminium alloys (Al–Cu–Mg) are investigated with an off-lattice atomistic kinetic Monte Carlo simulation incorporating the effects of strain around misfitting atoms and vacancies. Atomic interactions are modelled by Finnis–Sinclair potentials constructed for these simulations. Vac…
Thin films of poly(methylsilsesquioxane) (PMSSQ) are candidates for use as interdielectric layers in advanced semiconductor devices with multilayer structures. We prepared thin films of PMSSQ with thicknesses in the range 25.0-1151.0 nm by spin-casting its soluble precursor onto Si and GaAs substrates with native oxid…
An aspherical ion model (AIM) is constructed for lithium oxide, Li 2 O. The model incorporates both many-body polarization and short-range ion distortion effects. A procedure for extracting the required model parameters by fitting to results from a series of electronic structure calculations is described. The model is…
A series of three novel liquid crystalline amphiphilic molecules is reported which are composed of three incompatible molecular parts, a rigid terphenyl core, two lipophilic decyloxy chains in the terminal 4- and 4' '-positions, and a polar group in the lateral 2'-position. The polar group comprises a polyether chain,…
We combine theoretical and experimental results to study percolation-driven transport phenomena in an irradiated material. We show that whereas the first transition takes place at the value of amorphous fraction , the second transition corresponds to the percolation of depleted phase. The knowledge of the radius of de…