Post-deposition annealing influenced structural and electrical properties of Al/TiO2/Si gate capacitors

Titanium dioxide (TiO2) thin films are deposited on unheated p-Si (100) and quartz substrates by employing DC reactive magnetron sputtering technique. The effect of post-deposition annealing in air at temperatures in the range 673-973 K on the structural, electrical, and dielectric properties of the films was investigated. The chemical composition of the TiO2 films was analyzed with X-ray photoelectron spectroscopy. The surface morphology of the films was studied by atomic force microscope. The optical band gap of the as-deposited film was 3.50 eV, and it increased to 3.55 eV with the increase in annealing temperature to 773 K. The films annealed at higher temperature of 973 K showed the optical band gap of 3.43 eV. Thin film capacitors were fabricated with the MOS configuration of Al/TiO2/p-Si. The leakage current density of the as-deposited films was 1.2 x 10(-6) A/cm(2), and it decreased to 5.9 x 10(-9) A/cm(2) with the increase in annealing temperature to 973 K. These films showed high dielectric constant value of 36. (C) 2013 Elsevier Ltd. All rights reserved.

A systematic investigation of fracture mechanisms in Al-Si based eutectic alloy-Effect of Si modification

The fracture characteristics of Al-Si based eutectic alloy are investigated in the unmodified and modified conditions under compression. The investigations are carried out at different strain rates and temperatures. Fracture of the alloy starts with eutectic Si particle fracture and modification plays an important role in particle fracture. The fraction of fractured particles is found to be always lesser in the modified condition than in the unmodified condition. Particle fracture increases with increase in strain. It is found that the Si particle fracture shows an increase with increase in strain rate and decreases with increase in temperature at 10% strain. Large and elongated particles show a greater tendency for fracture in the unmodified and modified conditions. Particle orientation plays an important role on fracture and the cracks are found to occur almost in a direction normal to the tensile strain imposed upon the particles by the deforming matrix in the unmodified alloy. The modified alloy shows a random distribution of fractured particles and crack orientation. The criteria of fracture based on dislocation pile-up mechanism and fiber loading explain the observed difference in particle fracture characteristics due to modification. The particle fracture for the modified alloy is also discussed in terms of Weibull statistics and the existing models of dispersion hardening. Particle/matrix interface decohesion is observed at higher strain rates and temperatures in the modified alloy. Dendritic rotation of 10 degrees is also observed at higher strain rates, which can increase the amount of particle fracture. (C) 2013 Elsevier B.V. All rights reserved.

Cu(In,Al)Se-2 thin films by one-step electrodeposition for photovoltaics

Chalcopyrite Cu(In,Al)Se-2 (CIAS) thin films are grown on stainless steel substrate through one-step electrodeposition at room temperature. Indium is partially replaced with aluminum to increase the band gap of CuInSe2 without creating significant change in the original structure. The deposition potential is optimized at -0.8 V (vs. SCE) and annealing of the films is performed in vacuum to remove binary phases present in the as-deposited films. In/Al ratio is varied from 1/9 to 8/2, to find the suitability for solar cell fabrication. For In/Al ratio of less than 8/2, CuAlSe2 phase is formed in the film in addition to the CIAS phase. Depth profile X-ray photoelectron spectroscopy analysis of the CIAS sample prepared with In/Al ratio of 8/2 in the precursor solution confirmed the existence of single phase CIAS throughout the film. This film showed p-type conductivity while the rest of the samples with In/Al ratio less than 8/2 showed n-type conductivity. The band gap of the film varied from 1.06 to 1.45 eV, with variation in deposition potential. Structural, optical, morphological, compositional and electrical characterizations are carried out to establish the suitability of this film for solar cell fabrication. (C) 2013 Elsevier B.V. All rights reserved.

Numerical study of the impact of inoculant and grain transport on macrosegregation and microstructure formation during solidification of an Al-22%Cu alloy

We investigate the impact of the nucleation law for nucleation on Al-Ti-B inoculant particles, of the motion of inoculant particles and of the motion of grains on the predicted macrosegregation and microstructure in a grain-refined Al-22 wt.% Cu alloy casting. We conduct the study by numerical simulations of a casting experiment in a side-cooled 76×76×254 mm sand mould. Macrosegregation and microstructure formation are studied with a volume-averaged two-phase model accounting for macroscopic heat and solute transport, melt convection, and transport of inoculant particles and equiaxed grains. On the microscopic scale it accounts for nucleation on inoculant particles with a given size distribution (and corresponding activation undercooling distribution)and for the growth of globular solid grains. The growth kinetics is described by accounting for limited solute diffusion in both liquid and solid phases and for convective effects. We show that the consideration of a size distribution of the inoculants has a strong impact on the microstructure(final grain size) prediction. The transport of inoculants significantly increases the microstructure heterogeneities and the grain motion refines the microstructure and reduces the microstructure heterogeneities.

Semisolid Processing of A380 Al Alloy Using Cooling Slope

This study is aimed toward obtaining near spherical microstructural features of Rheocast A380 aluminum alloy. Cooling slope (CS) technique has been used to generate semisolid slurry from the superheated alloy melt. Spherodization of primary grains is the heart of semisolid processing which improves mechanical properties significantly in the parts cast from semisolid state compared to the conventional casting processes. Keeping in view of the desired microstructural morphology, i.e., rosette or spherical shape of primary alpha-Al phase, successive slurry samples have been collected during melt flow and oil quenched to investigate the microstructure evolution mechanism. Conventionally cast A380 Al alloy sample shows dendritic grains surrounded by large eutectic phase whereas finer, near spherical grains have been observed within the cooling slope processed slurry and also in the solidified castings which confirms the effectiveness of semisolid processing of the alloy following cooling slope technique. Grain refiner addition into the alloy melt is found to have favorable effect which leads to the generation of finer primary grains within the slurry with higher degree of sphericity.

Length-scale dependent mechanical properties of Al-Cu eutectic alloy: Molecular dynamics based model and its experimental verification

This paper attempts to gain an understanding of the effect of lamellar length scale on the mechanical properties of two-phase metal-intermetallic eutectic structure. We first develop a molecular dynamics model for the in-situ grown eutectic interface followed by a model of deformation of Al-Al2Cu lamellar eutectic. Leveraging the insights obtained from the simulation on the behaviour of dislocations at different length scales of the eutectic, we present and explain the experimental results on Al-Al2Cu eutectic with various different lamellar spacing. The physics behind the mechanism is further quantified with help of atomic level energy model for different length scale as well as different strain. An atomic level energy partitioning of the lamellae and the interface regions reveals that the energy of the lamellae core are accumulated more due to dislocations irrespective of the length-scale. Whereas the energy of the interface is accumulated more due to dislocations when the length-scale is smaller, but the trend is reversed when the length-scale is large beyond a critical size of about 80 nm. (C) 2014 Author(s).

Influence of sputter power on structural and electrical properties of TiO2 films for Al/TiO2/Si gate capacitors

Titanium dioxide (TiO2) thin films were deposited onto p-Si substrates held at room temperature by reactive Direct Current (DC) magnetron sputtering at various sputter powers in the range 80-200W. The as-deposited TiO2 films were annealed at a temperature of 1023K. The post-annealed films were characterized for crystallographic structure, chemical binding configuration, surface morphology and optical absorption. The electrical and dielectric properties of Al/TiO2/p-Si structure were determined from the capacitance-voltage and current-voltage characteristics. X-ray diffraction studies confirmed that the as-deposited films were amorphous in nature. After post-annealing at 1023K, the films formed at lower powers exhibited anatase phase, where as those deposited at sputter powers >160W showed the mixed anatase and rutile phases of TiO2. The surface morphology of the films varied significantly with the increase of sputter power. The electrical and dielectric properties on the air-annealed Al/TiO2/p-Si structures were studied. The effect of sputter power on the electrical and dielectric characteristics of the structure of Al/TiO2/p-Si (metal-insulator-semiconductor) was systematically investigated. Copyright (c) 2014 John Wiley & Sons, Ltd.

Phase Field Simulation of Equiaxed Microstructure Formation during Semi-solid Processing of A380 Al Alloy

A phase field modelling approach is implemented in the present study towards simulation of microstructure evolution during cooling slope semi solid slurry generation process of A380 Aluminium alloy. First, experiments are performed to evaluate the number of seeds required within the simulation domain to simulate near spherical microstructure formation, occurs during cooling slope processing of the melt. Subsequently, microstructure evolution is studied employing a phase field method. Simulations are performed to understand the effect of cooling rate on the slurry microstructure. Encouraging results are obtained from the simulation studies which are validated by experimental observations. The results obtained from mesoscopic phase field simulations are grain size, grain density, degree of sphericity of the evolving primary Al phase and the amount of solid fraction present within the slurry at different time frames. Effect of grain refinement also has been studied with an aim of improving the slurry microstructure further. Insight into the process has been obtained from the numerical findings, which are found to be useful for process control.

Optimization of degree of sphericity of primary phase during cooling slope casting of A356 Al alloy: Taguchi method and regression analysis

The present work presents the results of experimental investigation of semi-solid rheocasting of A356 Al alloy using a cooling slope. The experiments have been carried out following Taguchi method of parameter design (orthogonal array of L-9 experiments). Four key process variables (slope angle, pouring temperature, wall temperature, and length of travel of the melt) at three different levels have been considered for the present experimentation. Regression analysis and analysis of variance (ANOVA) has also been performed to develop a mathematical model for degree of sphericity evolution of primary alpha-Al phase and to find the significance and percentage contribution of each process variable towards the final outcome of degree of sphericity, respectively. The best processing condition has been identified for optimum degree of sphericity (0.83) as A(3), B-3, C-2, D-1 i.e., slope angle of 60 degrees, pouring temperature of 650 degrees C, wall temperature 60 degrees C, and 500 mm length of travel of the melt, based on mean response and signal to noise ratio (SNR). ANOVA results shows that the length of travel has maximum impact on degree of sphericity evolution. The predicted sphericity obtained from the developed regression model and the values obtained experimentally are found to be in good agreement with each other. The sphericity values obtained from confirmation experiment, performed at 95% confidence level, ensures that the optimum result is correct and also the confirmation experiment values are within permissible limits. (c) 2014 Elsevier Ltd. All rights reserved.

Tailoring the Cu(In, Al)S-2 nanostructures for photonic applications

Solvent dependent and low temperature based Chalcopyrite CuIn1-xAlxS2 (CIAS) nano structures were synthesized by a simple one-pot solvothermal route. X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-visible spectroscopy and micro-Raman spectroscopy were used to characterize the nanostructures structurally and optically. CIAS hollow spheres were constructed from the nanoplates. Detailed formation mechanism of the hollow spheres was explained. Tentative optical phonon vibrational modes have been discussed. Steady state room temperature IR photodectection have been demonstrated with all the CIAS nanostructures under IR lamp illumination. Photo current was amplified by two orders and one order in case of nano needle like structures and hollow spheres respectively, which was explained based upon the trap assisted space charge. Growth and decay constants lasted for few milli seconds.

Tailoring the Microstructural, Optical, and Electrical Properties of Nanocrystalline WO3 Thin Films Using Al Doping

We have studied the influence of Al doping on the microstructural, optical, and electrical properties of spray-deposited WO3 thin films. XRD analyses confirm that all the films are of polycrystalline WO3 in nature, possessing monoclinic structure. EDX profiles of the Al-doped films show aluminum peaks implying incorporation of Al ions into WO3 lattice. On Al doping, the average crystallite size decreases due to increase in the density of nucleation centers at the time of film growth. The observed variation in the lattice parameter values on Al doping is attributed to the incorporation of Al ions into WO3 lattice. Enhancement in the direct optical band gap compared to the undoped film has been observed on Al doping due to decrease in the width of allowed energy states near the conduction band edge. The refractive indices of the films follow the Cauchy relation of normal dispersion. Electrical resistivity compared to the undoped film has been found to increase on Al doping.

Temperature-dependent stability of stacking faults in Al, Cu and Ni: first-principles analysis

We present comparative analysis of microscopic mechanisms relevant to plastic deformation of the face-centered cubic (FCC) metals Al, Cu, and Ni, through determination of the temperature-dependent free energies of intrinsic and unstable stacking faults along 1 (1) over bar 0] and 1 (2) over bar 1] on the (1 1 1) plane using first-principles density-functional-theory-based calculations. We show that vibrational contribution results in significant decrease in the free energy of barriers and intrinsic stacking faults (ISFs) of Al, Cu, and Ni with temperature, confirming an important role of thermal fluctuations in the stability of stacking faults (SFs) and deformation at elevated temperatures. In contrast to Al and Ni, the vibrational spectrum of the unstable stacking fault (USF1 (2) over bar 1]) in Cu reveals structural instabilities, indicating that the energy barrier (gamma(usf)) along the (1 1 1)1 (2) over bar 1] slip system in Cu, determined by typical first-principles calculations, is an overestimate, and its commonly used interpretation as the energy release rate needed for dislocation nucleation, as proposed by Rice (1992 J. Mech. Phys. Solids 40 239), should be taken with caution.

A napthelene-pyrazol conjugate: Al(III) ion-selective blue shifting chemosensor applicable as biomarker in aqueous solution

A newly synthesized and crystalographically characterized napthelene-pyrazol conjugate, 1-(5-phenyl-1H-pyrazole-3-ylimino)-methyl]-naphthalen-2-ol (HL) behaves as an Al(III) ion-selective chemosensor through internal charge transfer (ICT)-chelation-enhanced fluorescence (CHEF) processes in 100 mM HEPES buffer (water-DMSO 5 : 1, v/v) at biological pH with almost no interference of other competitive ions. This mechanism is readily studied from electronic, fluorimetric and H-1 NMR titration. The probe (HL) behaved as a highly selective fluorescent sensor for Al(III) ions as low as 31.78 nM within a very short response time (15-20 s). The sensor (HL), which has no cytotoxicity, is also efficient in detecting the distribution of Al(III) ions in HeLa cells via image development under fluorescence microscope.

Low-Density Steels: The Effect of Al Addition on Microstructure and Properties

Density reduction of automotive steels is needed to reduce fuel consumption, thereby reducing greenhouse gas emissions. Aluminum addition has been found to be effective in making steels lighter. Such an addition does not change the crystal structure of the material. Steels modified with aluminum possess higher strength with very little compromise in ductility. In this work, different compositions of Fe-Al systems have been studied so that the desired properties of the material remain within the limit. A density reduction of approximately 10% has been achieved. The specific strength of optimal Fe-Al alloys is higher than conventional steels such as ultra-low-carbon steels.