First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms

First-principles calculations; ZnO nanofilms; Electronic properties; Quantum effects； NANOBELTS; NANORINGS; WURTZITE; ENERGY Abstract: Using first-principles density-functional calculations, we have studied the structural and electronic properties Of Ultrathin ZnO {0001} nanofilms. The structural parameters, the charge densities, band structures and density of states have been investigated. The results show that there are remarkable charge transfers from Zn to O atoms in the ZOO nanofilms. All the ZOO nanofilms exhibit direct wide band gaps compared with bulk counterpart, and the gap decreases with increased thickness of the nanofilms. The decreased band gap is associated with the weaker ionic bonding within layers and the less localization of electrons in thicker films. A staircase-like density of states occurs at the bottom of conduction band, indicating the two-dimensional quantum effects in ZnO nanofilms.

Fiber Bragg grating pressure sensor with ultrahigh sensitivity and reduced temperature sensitivity

A fiber Bragg grating (FBG) pressure sensing scheme based on a flat diaphragm and an L-shaped lever is presented. An L-shaped lever transfers the pressure-induced defection of the flat diaphragm to the axial elongation of the FBG. The curve where the L-shaped lever contacts the diaphragm is a segment of an Archimedes spiral, which is used to enhance the responsivity. Because the thermal expansion coefficient of the quartz-glass L-shaped lever and the steel sensor shell is different, the temperature effect is compensated for by optimizing the dimension parameters. Theoretical analysis is presented, and the experimental results show that an ultrahigh pressure responsivity of 244 pm/kPa and a low temperature responsivity of 2.8 pm/degrees C are achieved. (c) 2009 Society of Photo-Optical Instrumentation Engineers. [DOI 10.1117/1.3081058]

Magnetophotoluminescence of Zn0.88Mn0.12Se grown by metal-organic chemical vapor deposition on GaAs substrates

Magnetophotoluminescence properties of Zn0.88Mn0.12Se thin films grown by metal-organic chemical vapor deposition on GaAs substrates are investigated in fields up to 10 T. The linewidth of the excitonic luminescence peaks decreases with the increasing magnetic field (< 1 T), but the peak energy is almost unchanged. There is a crossover of the photoluminescence intensities between interband and bound excitonic transitions as the magnetic field is increased to about 1 T. These behaviors are interpreted by the strong tuning of the local alloy disorder potential by the applied magnetic field. In addition, the magnetic field-induced suppression of the energy transfers from excitons to Mn2+ ions is also observed.

Numerical analysis of LEC growth of GaAs with an axial magnetic field

A set of numerical analyses for momentum and heat transfer For a 3 in. (0.075 m) diameter Liquid Encapsulant Czochralski (LEC) growth of single-crystal GaAs with or without all axial magnetic field was carried Out using the finite-element method. The analyses assume a pseudosteady axisymmetric state with laminar floats. Convective and conductive heat transfers. radiative heat transfer between diffuse surfaces and the Navier-Stokes equations for both melt and encapsulant and electric current stream function equations Cor melt and crystal Lire considered together and solved simultaneously. The effect of the thickness of encapsulant. the imposed magnetic field strength as well as the rotation rate of crystal and crucible on the flow and heat transfer were investigated. (C) 2002 Published by Elsevier Science Ltd.

Intrawell and interwell transfer of excitons in growth-interrupted quantum wells

Intrawell and interwell transfers of excitons are observed by a temperature-dependent continuous-wave photoluminescence study of growth-interrupted single quantum wells. The intrawell transfer among the interface localization areas suggests a thermodynamic equilibrium between energy relaxation via LO-phonon emission and thermal population via phonon absorption. Thermal population is dominant in wider wells while relaxation is clearly observable in a four-monolayer narrow well at low temperatures. Interwell transfer of excitons also occurs between two narrow wells. (C) 1998 Academic Press.

Effects of growth interruption on self-assembled InAs/GaAs islands

The effect of growth interruption on the InAs deposition and its subsequent growth as self-assembled island structures, in particular the material transport process of the InAs layers has been investigated by photoluminescence and transmission electron microscopy measurements. InAs material in structures with only coherent islands transfers from the wetting layer to the formed islands and the growth interruption causes a red shift of PL peak energy. On the other hand, the PL peak shifts to higher energy in structures containing simultaneously coherent and noncoherent islands with dislocations. In this case, the noncoherent islands capture InAs material from the surrounding wetting layer as well as coherent islands, which casues a reduction in the size of these islands. The variations in the PL intensity and line width are also discussed. (C) 1998 Elsevier Science B.V. All rights reserved.

Material transport in self-assembled InAs/GaAs quantum dot ensemble

Introducing the growth interruption between the InAs deposition and subsequent GaAs growth in self-assembled quantum dot (QD) structures, the material transport process in the InAs layers has been investigated by photoluminescence and transmission electron microscopy measurement. InAs material in structures without misfit dislocations transfers from the wetting layer to QDs corresponding to the red-shift of PL peak energy due to interruption. On the other hand, the PL peak shifts to higher energy in the structures with dislocations. In this case, the misfit dislocations would capture the InAs material from the surrounding wetting layer and coherent islands leading to the reduction of the size of these QDs. The variations in the PL intensity and Linewidth are also discussed.

Synthesis Gas Generation by Chemical-Looping Reforming Using Ce-Based Oxygen Carriers Modified with Fe, Cu, and Mn Oxides

Chemical-looping reforming (CLR) is a technology that can be used for partial oxidation and steam reforming of hydrocarbon fuels. It involves the use of a metal oxide as an oxygen carrier, which transfers oxygen from combustion air to the fuel. Composite oxygen carriers of cerium oxide added with Fe, Cu, and Mn oxides were prepared by co-precipitation and investigated in a thermogravimetric analyzer and a fixed-bed reactor using methane as fuel and air as oxidizing gas. It was revealed that the addition of transition-metal oxides into cerium oxide can improve the reactivity of the Ce-based oxygen carrier. The three kinds of mixed oxides showed high CO and H-2 selectivity at above 800 degrees C. As for the Ce-Fe-O oxygen carrier, methane was converted to synthesis gas at a H-2/CO molar ratio close to 2:1 at a temperature of 800-900 degrees C; however, the methane thermolysis reaction was found on Ce-Cu-O and Ce-Mn-O oxygen carriers at 850-900 degrees C. Among the three kinds of oxygen carriers, Ce-Fe-O presented the best performance for methane CLR. On Ce-Fe-O oxygen carriers, the CO and H-2 selectivity decreased as the Fe content increased in the carrier particles. An optimal range of the Ce/Fe molar ratio is Ce/Fe > 1 for Ce-Fe-O oxygen carriers. Scanning electron microscopy (SEM) analysis revealed that the microstructure of the Ce-Fe-O oxides was not dramatically changed before and after 20 cyclic reactions. A small amount of Fe3C was found in the reacted Ce-Fe-O oxides by X-ray diffraction (XRD) analysis.

Two-dimensional numerical simulations of shock waves in micro convergent-divergent nozzles

The steady two-dimensional Navier-Stokes equations with the slip wall boundary conditions were used to simulate the supersonic flow in micro convergent-divergent nozzles. It is observed that shock waves can take place inside or outside of the micronozzles under the earth environment. For the over-expanded flows, there is a boundary layer separation point, downstream of which a wave interface separates the viscous boundary layer with back air flow and the inviscid core flow. The oblique shock wave is followed by the bow shock and shock diamond. The viscous boundary layer thickness relative to the whole nozzle width on the exit plane is increased but attains the maximum value around of 0.5 and oscillates against this value with the continuous increasing of the nozzle upstream pressures. The viscous effect either changes the normal shock waves outside of the nozzle for the inviscid flow to the oblique shock waves inside the nozzle, or transfers the expansion jet flow without shock waves for the inviscid flow to the oblique shock waves outside of the nozzle. 

Evaluation of both composition and strain distributions in InGaN epitaxial film using x-ray diffraction techniques

The composition and stain distributions in the InGaN epitaxial films are jointly measured by employing various x-ray diffraction (XRD) techniques, including out-of-plane XRD at special planes, in-plane grazing incidence XRD, and reciprocal space mapping (RSM). It is confirmed that the measurement of (204) reflection allows a rapid access to estimate the composition without considering the influence of biaxial strain. The two-dimensional RSM checks composition and degree of strain relaxation jointly, revealing an inhomogeneous strain distribution profile along the growth direction. As the film thickness increases from 100 nm to 450 nm, the strain status of InGaN films gradually transfers from almost fully strained to fully relaxed state and then more in atoms incorporate into the film, while the near-interface region of InGaN films remains pseudomorphic to GaN.

Material transport in self-assembled InAs/GaAs quantum dot ensemble

Introducing the growth interruption between the InAs deposition and subsequent GaAs growth in self-assembled quantum dot (QD) structures, the material transport process in the InAs layers has been investigated by photoluminescence and transmission electron microscopy measurement. InAs material in structures without misfit dislocations transfers from the wetting layer to QDs corresponding to the red-shift of PL peak energy due to interruption. On the other hand, the PL peak shifts to higher energy in the structures with dislocations. In this case, the misfit dislocations would capture the InAs material from the surrounding wetting layer and coherent islands leading to the reduction of the size of these QDs. The variations in the PL intensity and Linewidth are also discussed.

Shear transformation zone volume determining ductile–brittle transition of bulk metallic glasses

Three-point bending experiments were performed on as-cast and annealed samples of Zr52.5Cu17.9Ni14.6Al10Ti5 (Vit105) bulk metallic glasses over a wide range of temperatures varying from room temperature (293 K) to liquid nitrogen temperature (77 K). The results demonstrated that the free volume decrease due to annealing and/or cryogenic temperature can reduce the propensity for the formation of multiple shear bands and hence deteriorate plastic deformation ability. We clearly observed a sharp ductile-to-brittle transition (DBT), across which microscopic fracture feature transfers from micro-scale vein patterns to nano-scale periodic corrugations. Macroscopically, the corresponding fracture mode changes from ductile shear fracture to brittle tensile fracture. The shear transformation zone volume, taking into account free volume, temperature and strain rate, is proposed to quantitatively characterize the DBT behavior in fracture of metallic glasses.

Half-Lives of Superheavy Nuclei in Z=113 Alpha Decay Chain

The generalized liquid drop model (GLDM), including the proximity effects and centrifugal potential, and the cluster model with Cosh potential are used to study the half-lives of some Z=113 isotopes and their alpha-decay products.The experimental half-lives of (284)113, (283)113, (282)113and their alpha-decay products are well reproduced by the two models when zero angular momenta transfer is assumed. For (278)113 and its alpha-decay products, both the GLDM andthe cluster model could provide satisfactory results if we assume the alpha particle carry five units of angular momenta, which indicates that possible non zero angular momenta transfer and need further experimental measurements with high precision. Finally, we show that half-lives of alpha-decay are quite sensitive to the angular momentum transfers, and a formula could be used to describe the correlation between alpha-decay half-life and angular momentum transfer successfully.