Optical and structural properties of highly porous shell structured Fe doped TiO2 thin films

TiO2 thin films with 0.2 wt%, 0.4 wt%, 0.6 wt%, and 0.8 wt% Fe were prepared on glass and silicon substrates using sol-gel spin coating technique. The optical cut-off points are increasingly red-shifted and the absorption edge is shifted over the higher wavelength region with Fe content increasing. As Fe content increases, the optical band gap decreases from 3.03 to 2.48 eV whereas the tail width increases from 0.26 to 1.43 eV. The X-ray diffraction (XRD) patterns for doped films at 0.2 wt% and 0.8 wt% Fe reveal no characteristic peaks, indicating that the film is amorphous whereas undoped TiO2 exhibits (101) orientation with anatase phase. Thin films of higher Fe content exhibit a homogeneous, uniform, and nano-structured highly porous shell morphology.

Combinatorial effect of rolling and carbonaceous nanoparticles on the evolution of crystallographic texture and structural properties of ultra high molecular weight polyethylene

Ultra high molecular weight polyethylene (PE) is a structural polymer widely used in biomedical implants. The mechanical properties of PE can be improved either by controlled crystalline orientation (texture) or by the addition of reinforcing agents. However, the combinatorial effect has not received much attention. The objective of this study was to characterize the structure and mechanical properties of PE composites incorporating multiwall carbon nanotubes (MWCNT) and reduced graphene oxide (RGO) subjected to hot rolling. The wide angle X-ray diffraction studies revealed that mechanical deformation resulted in a mixture of orthorhombic and monoclinic crystals. Furthermore, the presence of nanoparticles resulted in lower crystallinity in PE with smaller crystallite size, more so in RGO than in MWCNT composites. Rolling strengthened the texture of both orthorhombic and the monoclinic phases in PE. Presence of RGO weakened the texture of both phases of PE after rolling whereas MWCNT only mildly weakened the texture. This resulted in a reduction in the elastic modulus of RGO composites whereas moduli of neat polymer and the MWCNT composite increased after rolling. This study provides new insight into the role of nanoparticles in texture evolution during polymer processing with implications for processing of structural polymer composites.

Graphene scavenges free radicals to synergistically enhance structural properties in a gamma-irradiated polyethylene composite through enhanced interfacial interactions

A unique strategy for scavenging free radicals in situ on exposure to gamma irradiation in polyethylene (PE) nanocomposites is presented. Blends of ultra-high molecular weight PE and linear low-density PE (PEB) and their nanocomposites with graphene (GPEB) were prepared by melt mixing to develop materials for biomedical implants. The effect of gamma irradiation on the microstructure and mechanical properties was systematically investigated. The neat blend and the nanocomposite were subjected to gamma-ray irradiation in order to improve the interfacial adhesion between PE and graphene sheets. Structural and thermal characterization revealed that irradiation induced crosslinking and increased the crystallinity of the polymer blend. The presence of graphene further enhanced the crystallinity via crosslinks between the polymer matrix and the filler on irradiation. Graphene was found to scavenge free radicals as confirmed by electron paramagnetic resonance spectroscopy. Irradiation of graphene-containing polymer composites resulted in the largest increase in modulus and hardness compared to either irradiation or addition of graphene to PEB alone. This study provides new insight into the role of graphene in polymer matrices during irradiation and suggests that irradiated graphene-polymer composites could emerge as promising materials for use as articulating surfaces in biomedical implants.

High pressure states in condensed matter: I. High pressure behavior of the iron-sulphur system with applications to the earth's core. II. Empirical equation of state for organic compounds at high pressures

Part I:

The earth's core is generally accepted to be composed primarily of iron, with an admixture of other elements. Because the outer core is observed not to transmit shear waves at seismic frequencies, it is known to be liquid or primarily liquid. A new equation of state is presented for liquid iron, in the form of parameters for the 4th order Birch-Murnaghan and Mie-Grüneisen equations of state. The parameters were constrained by a set of values for numerous properties compiled from the literature. A detailed theoretical model is used to constrain the P-T behavior of the heat capacity, based on recent advances in the understanding of the interatomic potentials for transition metals. At the reference pressure of 10⁵ Pa and temperature of 1811 K (the normal melting point of Fe), the parameters are: ρ = 7037 kg/m³, K_S0 = 110 GPa, K_S' = 4.53, K_S" = -.0337 GPa-1, and γ = 2.8, with γ α ρ^-1.17. Comparison of the properties predicted by this model with the earth model PREM indicates that the outer core is 8 to 10 % less dense than pure liquid Fe at the same conditions. The inner core is also found to be 3 to 5% less dense than pure liquid Fe, supporting the idea of a partially molten inner core. The density deficit of the outer core implies that the elements dissolved in the liquid Fe are predominantly of lower atomic weight than Fe. Of the candidate light elements favored by researchers, only sulfur readily dissolves into Fe at low pressure, which means that this element was almost certainly concentrated in the core at early times. New melting data are presented for FeS and FeS₂ which indicate that the FeS₂ is the S-hearing liquidus solid phase at inner core pressures. Consideration of the requirement that the inner core boundary be observable by seismological means and the freezing behavior of solutions leads to the possibility that the outer core may contain a significant fraction of solid material. It is found that convection in the outer core is not hindered if the solid particles are entrained in the fluid flow. This model for a core of Fe and S admits temperatures in the range 3450K to 4200K at the top of the core. An all liquid Fe-S outer core would require a temperature of about 4900 K at the top of the core.

Part II.

The abundance of uses for organic compounds in the modern world results in many applications in which these materials are subjected to high pressures. This leads to the desire to be able to describe the behavior of these materials under such conditions. Unfortunately, the number of compounds is much greater than the number of experimental data available for many of the important properties. In the past, one approach that has worked well is the calculation of appropriate properties by summing the contributions from the organic functional groups making up molecules of the compounds in question. A new set of group contributions for the molar volume, volume thermal expansivity, heat capacity, and the Rao function is presented for functional groups containing C, H, and O. This set is, in most cases, limited in application to low molecular liquids. A new technique for the calculation of the pressure derivative of the bulk modulus is also presented. Comparison with data indicates that the presented technique works very well for most low molecular hydrocarbon liquids and somewhat less well for oxygen-bearing compounds. A similar comparison of previous results for polymers indicates that the existing tabulations of group contributions for this class of materials is in need of revision. There is also evidence that the Rao function contributions for polymers and low molecular compounds are somewhat different.

Optical and structural properties of Er2O3 films grown by magnetron sputtering

The structural properties and the room temperature luminescence of Er 2O3 thin films deposited by magnetron sputtering have been studied. In spite of the well-known high reactivity of rare earth oxides towards silicon, films characterized by good morphological properties have been obtained by using a SiO2 interlayer between the film and the silicon substrate. The evolution of the properties of the Er2O3 films due to thermal annealing processes in oxygen ambient performed at temperatures in the range of 800-1200°C has been investigated in detail. The existence of well defined annealing conditions (rapid treatments at a temperature of 1100°C or higher) allowing to avoid the occurrence of extensive chemical reactions with the oxidized substrate has been demonstrated; under these conditions, the thermal process has a beneficial effect on both structural and optical properties of the film, and an increase of the photoluminescence (PL) intensity by about a factor of 40 with respect to the as-deposited material has been observed. The enhanced efficiency of the photon emission process has been correlated with the longer lifetime of the PL signal. Finally, the conditions leading to a reaction of Er2O3 with the substrate have been also identified, and evidences about the formation of silicate-like phases have been collected. © 2006 American Institute of Physics.

Influence of AlN buffer layer thickness on structural properties of GaN epilayer grown on Si (111) substrate with AlGaN interlayer

We present the growth of GaN epilayer on Si (111) substrate with a single AlGaN interlayer sandwiched between the GaN epilayer and AlN buffer layer by using the metalorganic chemical vapour deposition. The influence of the AlN buffer layer thickness on structural properties of the GaN epilayer has been investigated by scanning electron microscopy, atomic force microscopy, optical microscopy and high-resolution x-ray diffraction. It is found that an AlN buffer layer with the appropriate thickness plays an important role in increasing compressive strain and improving crystal quality during the growth of AlGaN interlayer, which can introduce a more compressive strain into the subsequent grown GaN layer, and reduce the crack density and threading dislocation density in GaN film.

Using different carrier gases to control AlN film stress and the effect on morphology, structural properties and optical properties

On the metalorganic chemical vapour deposition growth of AlN, by adjusting H-2+N-2 mixture gas components, we can gradually control island dimension. During the Volmer - Weber growth, the 2-dimensional coalescence of the islands induces an intrinsic tensile stress. Then, this process can control the in-plane stress: with the N-2 content increasing from 0 to 3 slm, the in-plane stress gradually changes from 1.5 GPa tensile stress to - 1.2GPa compressive stress. Especially, with the 0.5 slm N-2 + 2.5 slm H-2 mixture gas, the in-plane stress is only 0.1 GPa, which is close to the complete relaxation state. Under this condition, this sample has good crystal and optical qualities.

Effect of Nitridation on Morphology, Structural Properties and Stress of AIN Films

We investigate effects of nitridation on AIN morphology, structural properties and stress. It is found that 3 min nitridation can prominently improve AIN crystal structure, and slightly smooth the surface morphology. However, 10 min nitridation degrades out-of-plane crystal structure and surface morphology instead. Additionally, 3-min nitridation introduces more tensile stress (1.5 GPa) in AIN films, which can be attributed to the weaker islands 2D coalescent. Nitridation for 10 min can introduce more defects, or even forms polycrystallinity interlayer, which relaxes the stress. Thus, the stress in AIN with 10 min nitridation decreases to -0.2 GPa compressive stress.

The effect of single AlGaN interlayer on the structural properties of GaN epilayers grown on Si (111) substrates

High-quality and nearly crack-free GaN epitaxial layer was obtained by inserting a single AlGaN interlayer between GaN epilayer and high-temperature AlN buffer layer on Si (111) substrate by metalorganic chemical vapor deposition. This paper investigates the effect of AlGaN interlayer on the structural proper-ties of the resulting GaN epilayer. It confirms from the optical microscopy and Raman scattering spectroscopy that the AlGaN interlayer has a remarkable effect on introducing relative compressive strain to the top GaN layer and preventing the formation of cracks. X-ray diffraction and transmission electron microscopy analysis reveal that a significant reduction in both screw and edge threading dislocations is achieved in GaN epilayer by the insertion of AlGaN interlayer. The process of threading dislocation reduction in both AlGaN interlayer and GaN epilayer is demonstrated.

Spatial variation of optical and structural properties of ELO GaN directly grown on patterned sapphire by HVPE

A 275 mu m thick GaN layer was directly grown on the SiO2-prepatterned sapphire in a home-built vertical hydride vapour phase epitaxy (HVPE) reactor. The variation of optical and structure characteristics were microscopically identified using spatially resolved cathodeluminescence and micro-Raman spectroscopy in a cross section of the thick film. The D X-0(A) line with the FWHM of 5.1 meV and etch- pit density of 9 x 10(6) cm(-2) illustrated high crystalline quality of the thick GaN epitaxial layer. Optically active regions appeared above the SiO2 masks and disappeared abruptly due to the tapered inversion domains at 210 - 230 mu m thickness. The crystalline quality was improved by increasing the thickness of the GaN/sapphire interface, but the region with a distance of 2 mu m from the top surface revealed relatively low quality due to degenerate surface reconstruction by residual gas reaction. The x-ray rocking curve for the symmetric (0 0 2) and asymmetric (1 0 2) reflections also showed good quality and a small wing tilt of the epitaxial lateral overgrowth (ELO) GaN.

Structural properties of polycrystalline silicon films formed by pulsed rapid thermal processing

A novel pulsed rapid thermal processing (PRTP) method has been used for realizing solid-phese crystallization of amorphous silicon films prepared by plasma-enhanced chemical vapour deposit ion. The microstructure and surface morphology of the crystallized films were investigated using x-ray diffraction and atomic Force microscopy. The results indicate that PRTP is a suitable post-crystallization technique for fabricating large-area polycrystalline silicon films with good structural quality, such as large grain size, small lattice microstrain and smooth surface morphology on low-cost glass substrates.

Growth and structural properties of GaN films on flat and vicinal SiC(0001) substrates

Initial stage GaN growth by molecular-beam epitaxy (MBE) on SiC(0001) substrate is followed by in situ scanning tunneling microscopy. Comparison is made between growth on nominally flat and vicinal substrate surfaces and the results reveal characteristic differences between the two. Ex situ transmission electron microscopy (TEM) and X-ray diffraction (XRD) rocking curve measurements of the films show lower density of defects and better structural quality of the vicinal film. We suggest the improved structural quality of the vicinal film is related to the characteristic difference in its initial stage nucleation and coalescence proccsses than that of the flat film.

Influence of Al content on electrical and structural properties of Si-doped AlxGa1-xN/GaN HEMT structures

Improved electrical properties of AlxGa1-xN/GaN high electron mobility transistor (HEMT) structures grown by metalorganic chemical vapor deposition (MOCVD) were achieved through increasing the Al mole fraction in the AlGaN barrier layers. An average sheet resistance of 326.6 Omega/sq and a good resistance uniformity of 98% were obtained for a 2-inch Al0.38Ga0 62N/GaN HEMT structure. The surface morphology of AlxGa1-xN/GaN HEMT structures strongly correlates with the Al content. More defects were formed with increasing Al content due to the increase of tensile strain, which limits further reduction of the sheet resistance. (c) 2006 WILEY-VCH Verlag GmbH & Co KGaA, Weinheim.