Asymptotic behavior and interpretation of virtual states: The effects of confinement and of basis sets

A real-space high order finite difference method is used to analyze the effect of spherical domain size on the Hartree-Fock (and density functional theory) virtual eigenstates. We show the domain size dependence of both positive and negative virtual eigenvalues of the Hartree-Fock equations for small molecules. We demonstrate that positive states behave like a particle in spherical well and show how they approach zero. For the negative eigenstates, we show that large domains are needed to get the correct eigenvalues. We compare our results to those of Gaussian basis sets and draw some conclusions for real-space, basis-sets, and plane-waves calculations. (C) 2016 AIP Publishing LLC.

Binding energy of a hydrogenic donor impurity in a rectangular parallelepiped-shaped quantum dot: Quantum confinement and Stark effects

We calculate the binding energy of a hydrogenic donor impurity in a rectangular parallelepiped-shaped quantum dot (QD) in the framework of effective-mass envelope-function theory using the plane wave basis. The variation of the binding energy with edge length, position of the impurity, and external electric field is studied in detail. A finite potential model is adopted in our calculations. Compared with the infinite potential model [C. I. Mendoza , Phys. Rev. B 71, 075330 (2005)], the following results are found: (1) if the impurity is located in the interior of the QD, our results give a smaller binding energy than the infinite potential model; (2) the binding energies are more sensitively dependent on the applied electric field in the finite potential model; (3) the infinite potential model cannot give correct results for a small QD edge length for any location of the impurity in the QD; (4) some degeneracy is lifted when the dot is no longer cubic. (C) 2007 American Institute of Physics.

Effects of unconfined concrete strength on FRP confinement of concrete

Research has shown that fibre reinforced polymer (FRP) wraps are effective for strengthening concrete columns for increased axial and flexural load and deformation capacity, and this technique is now used around the world. The experimental study presented in this paper is focused on the mechanics of FRP confined concrete, with a particular emphasis on the influence of the unconfined concrete compressive strength on confinement effectiveness and hoop strain efficiency. An experimental programme was undertaken to study the compressive strength and stress-strain behaviour of unconfined and FRP confined concrete cylinders of different concrete strength but otherwise similar mix designs, aggregates, and constituents. This was accomplished by varying only the water-to-cement ratio during concrete mixing operations. Through the use of high-resolution digital image correlation to measure both axial and hoop strains, the observations yield insights into the mechanics of FRP confinement of concretes of similar composition but with varying unconfined concrete compressive strength.

Effects of confinement on the electron-phonon interaction in Al(0.18)Ga(0.82)As/GaAs quantum wells

Photoluminescence measurements at different temperatures have been performed to investigate the effects of confinement on the electron-phonon interaction in GaAs/AlGaAs quantum wells (QWs). A series of samples with different well widths in the range from 150 up to 750 A was analyzed. Using a fitting procedure based on the Passler-p model to describe the temperature dependence of the exciton recombination energy, we determined a fit parameter which is related to the strength of the electron-phonon interaction. On the basis of the behavior of this fit parameter as a function of the well width thickness of the samples investigated, we verified that effects of confinement on the exciton recombination energy are still present in QWs with well widths as large as 450 angstrom. Our findings also show that the electron-phonon interaction is three times stronger in GaAs bulk material than in Al(0.18)Ga(0.82)As/GaAs QWs.

Confinement and surface effects in B and P doping of silicon nanowires

Several experimental groups have achieved effective n- and p-type doping of silicon nanowires (SiNWs). However, theoretical analyses on ultrathin SiNWs suggest that dopants tend to segregate to their surfaces, where they would combine with defects such as dangling bonds (DB), becoming electronically inactive. Using fully ab initio calculations, we show that the differences in formation energies among surface and core substitutional sites decrease rapidly as the diameters of the wires increase, indicating that the dopants will be uniformly distributed. Moreover, occurrence of the electronically inactive impurity/DB complex rapidly becomes less frequent for NWs of larger diameters. We also show that the high confinement in the ultrathin SiNWs causes the impurity levels to be deeper than in the silicon bulk, but our results indicate that for NWs of diameters larger than approximately 3 nm the impurity levels recover bulk characteristics. Finally, we show that different surfaces will lead to different dopant properties in the gap.

Analysis of confinement potential fluctuation and band-gap renormalization effects on excitonic transition in GaAs/AlGaAs multiquantum wells grown on (100) and (311)A GaAs surfaces

The competition between confinement potential fluctuations and band-gap renormalization (BGR) in GaAs/AlxGa1-xAs quantum wells grown on [1 0 0] and [3 1 1]A GaAs substrates is evaluated. The results clearly demonstrate the coexistence of the band-tail states filling related to potential fluctuations and the band-gap renormalization caused by an increase in the density of photogenerated carriers during the photoluminescence (PL) experiments. Both phenomena have strong influence on temperature dependence of the PL-peak energy (E-PL(T)). As the photon density increases, the E-PL can shift to either higher or lower energies, depending on the sample temperature. The temperature at which the displacement changes from a blueshift to a redshift is governed by the magnitude of the potential fluctuations and by the variation of BGR with excitation density. A simple band-tail model with a Gaussian-like distribution of the density of state was used to describe the competition between the band-tail filling and the BGR effects on E-PL(T). (C) 2012 Elsevier B.V. All rights reserved.

Effects of providing prior experience of a feedlot environment on the performance of feedlot cattle

Cattle sourced for feedlots from extensive properties will generally have little experience of conditions to which they will be exposed in feedlots, eg close contact with humans, confinement, crowding and feed in troughs. Such conditions can result in stress (Fell 1994) which can have adverse effects on health and performance (Moberg 1985). This experiment determined the effect of prior exposure to aspects of a feedlot environment on the feedlot performance of Bos indicus steers. 21st Biennial Conference. 8 - 12 July 1996. University of Queensland. Brisbane.

Probing hemoglobin confinement inside submicron silica tubes using synchrotron SAXS and electrochemical response

The configuration of hemoglobin in solution and confined inside silica nanotubes has been studied using synchrotron small angle X-ray scattering and electrochemical activity. Confinement inside submicron tubes of silica aid in preventing protein aggregation, which is vividly observed for unconfined protein in solution. The radius of gyration (R-g) and size polydispersity (p) of confined hemoglobin was found to be lower than that in solution. This was also recently demonstrated in case of confined hemoglobin inside layered polymer capsules. The confined hemoglobin displayed a higher thermal stability with Rg and p showing negligible changes in the temperature range 25-75 degrees C. The differences in configuration between the confined and unconfined protein were reflected in their electrochemical activity. Reversible electrochemical response (from cyclic voltammograms) obtained in case of the confined hemoglobin, in contrary to the observance of only a cathodic response for the unconfined protein, gave direct indication of the differences between the residences of the electroactive heme center in a different orientation compared to that in solution state. The confined Hb showed loss of reversibility only at higher temperatures. The electron transfer coefficient (alpha) and electron transfer rate constant (k(s)) were also different, providing additional evidence regarding structural differences between the unconfined and confined states of hemoglobin. Thus, absence of any adverse effects due to confinement of proteins inside the inorganic matrices such as silica nanotubes opens up new prospects for utilizing inorganic matrices as protein ``encapsulators'', as well as sensors at varying temperatures.

Analysis of size quantization and temperature effects on the threshold voltage of thin silicon film double-gate metal-oxide-semiconductor field-effect transistor (MOSFET)

In this paper, we analyze the combined effects of size quantization and device temperature variations (T = 50K to 400 K) on the intrinsic carrier concentration (n(i)), electron concentration (n) and thereby on the threshold voltage (V-th) for thin silicon film (t(si) = 1 nm to 10 nm) based fully-depleted Double-Gate Silicon-on-Insulator MOSFETs. The threshold voltage (V-th) is defined as the gate voltage (V-g) at which the potential at the center of the channel (Phi(c)) begins to saturate (Phi(c) = Phi(c(sat))). It is shown that in the strong quantum confinement regime (t(si) <= 3nm), the effects of size quantization far over-ride the effects of temperature variations on the total change in band-gap (Delta E-g(eff)), intrinsic carrier concentration (n(i)), electron concentration (n), Phi(c(sat)) and the threshold voltage (V-th). On the other hand, for t(si) >= 4 nm, it is shown that size quantization effects recede with increasing t(si), while the effects of temperature variations become increasingly significant. Through detailed analysis, a physical model for the threshold voltage is presented both for the undoped and doped cases valid over a wide-range of device temperatures, silicon film thicknesses and substrate doping densities. Both in the undoped and doped cases, it is shown that the threshold voltage strongly depends on the channel charge density and that it is independent of incomplete ionization effects, at lower device temperatures. The results are compared with the published work available in literature, and it is shown that the present approach incorporates quantization and temperature effects over the entire temperature range. We also present an analytical model for V-th as a function of device temperature (T). (C) 2013 AIP Publishing LLC.

Heating, current drive and confinement regimes with the JET ICRH and lhcd systems

During its 1990 operation, 2 large RF systems were available on JET. The Ion Cyclotron Resonance Heating (ICRH) system was equipped with new beryllium screens and with feedback matching systems. Specific impurities generated by ICRH were reduced to negligible levels even in the most stringent H-mode conditions. A maximum power of 22 MW was coupled to L-mode plasmas. High quality H-modes (tau-E greater-than-or-equal-to 2.5 tau-EG) were achieved using dipole phasing. A new high confinement mode was discovered. It combines the properties of the H-mode regime to the low central diffusivities obtained by pellet injection. A value of n(d) tau-E T(i) = 7.8 x 10(20) m-3 s keV was obtained in this mode with T(e) approximately T(i) approximately 11 keV. In the L-mode regime, a regime, a record (140 kW) D-He-3 fusion power was generated with 10 - 14 MW of ICRH at the He-3 cyclotron frequency. Experiments were performed with the prototype launcher of the Lower Hybrid Current Drive (LHCD) systems with coupled power up to 1.6 MW with current drive efficiencies up to < n(e) > R I(CD)/P = 0.4 x 10(20) m-2 A/W. Fast electrons are driven by LHCD to tail temperatures of 100 keV with a hollow radial profile. Paradoxically, LHCD induces central heating particularly in combination with ICRH. Finally we present the first observations of the synergistic acceleration of fast electrons by Transit Time Magnetic Pumping (TTMP) (from ICRH) and Electron Landau Damping (ELD) (from LHCD). The synergism generates TTMP current drive even without phasing the ICRH antennae.

Generation of intense extreme supercontinuum radiation via resonant propagation effects

Confinement of electromagnetic energy into a single well-controlled oscillation of light is very important for generation of intense supercontinuum radiation. We find that the pulse breakup of few-cycle ultrashort laser pulses via resonant propagation effects can achieve this aim. By extracting such pulses and then focusing them to drive the He atoms, about 200 eV intense supercontinuum radiation can be generated, which is capable of supporting similar to 20 attosecond isolated pulse generation.

Effects of GaN Capping on the Structural and the Optical Properties of InN Nanostructures Grown by Using MOCVD

InN nanostructures with and without GaN capping layers were grown by using metal-organic chemical vapor deposition. Morphological, structural, and optical properties were systematically studied by using atomic force microscopy, X-ray diffraction (XRD) and temperature-dependent photoluminescence (PL). XRD results show that an InGaN structure is formed for the sample with a GaN capping layer, which will reduce the quality and the IR PL emission of the InN. The lower emission peak at similar to 0.7 eV was theoretically fitted and assigned as the band edge emission of InN. Temperature-dependent PL shows a good quantum efficiency for the sample without a GaN capping layers; this corresponds to a lower density of dislocations and a small activation energy.

Confinement factor and absorption loss of AlInGaN based laser diodes emitting from ultraviolet to green

Confinement factor and absorption loss of AlInGaN based multiquantum well laser diodes (LDs) were investigated by numerical simulation based on a two-dimensional waveguide model. The simulation results indicate that an increased ridge height of the waveguide structure can enhance the lateral optical confinement and reduce the threshold current. For 405 nm violet LDs, the effects of p-AlGaN cladding layer composition and thickness on confinement factor and absorption loss were analyzed. The experimental results are in good agreement with the simulation analysis. Compared to violet LD, the confinement factors of 450 nm blue LD and 530 nm green LD were much lower. Using InGaN as waveguide layers that has higher refractive index than GaN will effectively enhance the optical confinement for blue and green LDs. The LDs based on nonpolar substrate allow for thick well layers and will increase the confinement factor several times. Furthermore, the confinement factor is less sensitive to alloys composition of waveguide and cladding layers, being an advantage especially important for ultraviolet and green LDs.

Polarization effects simulation of AlGaN/GaN heterojunction by using a symbolistic delta-doping layer

Polarization effects in AlGaN/GaN heterojunction are simulated based on a traditional semiconductor device simulator. A delta doping layer is purposely inserted at the interface of the heterojunction in the simulation, so the ionized donors or acceptors can represent polarization-induced positive or negative fixed charges. The free electron distribution of single AlGaN/GaN heterostructures with Ga-face and N-face growth is compared, and the results of the simulation show that carrier confinement takes place only in the former structure. The dependence of sheet density of free electrons at the interface of Ga-face growth AlGaN/GaN on Al composition and the thickness of AlGaN is also investigated. The consistency of simulation results with the experiments and calculations reported by other researchers shows that this method can be effectively used to deal with the polarization effects in the simulation of GaN-based heterojunction devices. (C) 2004 Elsevier Ltd. All rights reserved.

Simulation of polarization effects in AlGaN/GaN heterojunction

A method for introducing polarization effects in the simulation of GaN-based heterojunction devices is proposed. A delta doping layer is inserted at the interface of heterojunction and the ionized donors or acceptors act as polarization induced fixed charges. Thus polarization effects can be taken into account in a traditional device simulator. Ga-face and N-face single AlGaN/GaN heterostructures are simulated, and the simulation results show that carrier confinement takes place only in the former structure while not in the latter one. The sheet density of free electrons at the interface of Ga-face AlGaN/GaN increases with the Al composition and the thickness of AlGaN. The consistence of simulation results with the experiments and calculations reported elsewhere shows that this method can effectively introduce polarization effects in the simulation of GaN-based heterojunction devices.