148 resultados para Self-consistent field theory
Resumo:
We have studied the capacitance-voltage characteristics of an optically excited wide quantum well. Both self-consistent simulations and experimental results show the striking quantum contribution to the capacitance near zero bias which is ascribed to the swift decreasing of the overlap between the electron and hole wave functions in the well as the longitudinal field goes up. This quantum capacitance feature is regarded as an electrical manifestation of the quantum-confined Stark effect.
Resumo:
The self-heating effect in 1.3 mu m p-doped InAs/GaAs quantum dot (QD) vertical cavity surface emitting lasers (VCSELs) has been investigated using a self-consistent theoretical model. Good agreement is obtained between theoretical analysis and experimental results under pulsed operation. The results show that in p-doped QD VCSELs, the output power is significantly influenced by self-heating. About 60% of output power is limited by self-heating in a device with oxide aperture of 5x6 mu m(2). This value reduces to 55% and 48%, respectively, as the oxide aperture increases to 7x8 and 15x15 mu m(2). The temperature increase in the active region and injection efficiency of the QDs are calculated and discussed based on the different oxide aperture areas and duty cycle.
Resumo:
The energetics, lattice relaxation, and the defect-induced states of st single O vacancy in alpha-Al2O3 are studied by means of supercell total-energy calculations using a first-principles method based on density-functional theory. The supercell model with 120 atoms in a hexagonal lattice is sufficiently large to give realistic results for an isolated single vacancy (square). Self-consistent calculations are performed for each assumed configuration of lattice relaxation involving the nearest-neighbor Al atoms and the next-nearest-neighbor O atoms of the vacancy site. Total-energy data thus accumulated are used to construct an energy hypersurface. A theoretical zero-temperature vacancy formation energy of 5.83 eV is obtained. Our results show a large relaxation of Al (O) atoms away from the vacancy site by about 16% (8%) of the original Al-square (O-square) distances. The relaxation of the neighboring Al atoms has a much weaker energy dependence than the O atoms. The O vacancy introduces a deep and doubly occupied defect level, or an F center in the gap, and three unoccupied defect levels near the conduction band edge, the positions of the latter are sensitive to the degree of relaxation. The defect state wave functions are found to be not so localized, but extend up to the boundary of the supercell. Defect-induced levels are also found in the valence-band region below the O 2s and the O 2p bands. Also investigated is the case of a singly occupied defect level (an F+ center). This is done by reducing both the total number of electrons in the supercell and the background positive charge by one electron in the self-consistent electronic structure calculations. The optical transitions between the occupied and excited states of the: F and F+ centers are also investigated and found to be anisotropic in agreement with optical data.
Resumo:
Radiative transition in delta-doped GaAs superlattices with and without Al0.1Ga0.9As barriers is investigated by using photoluminescence at low temperatures. The experimental results show that the transition mechanism of delta-doped superlattices is very different from that of ordinary superlattices. Emission intensity of the transition from the electron first excited state to hole states is obviously stronger than that from the electron ground state to hole states due to larger overlap integral between wavefunctions of electrons in the first excited state and hole states. Based on the effective mass theory we have calculated the self-consistent potentials, optical transition matrix elements and photoluminescence spectra for two different samples. By using this model we can explain the main optical characteristics measured. Moreover, after taking into account the bandgap renormalization energy, good agreement between experiment and theory is obtained.
Resumo:
We investigate the effect of the calar-isovector delta-meson field on the equation of state (EOS) and composition of hyperonic neutron star matter, and the properties of hyperonic neutron stars within the frame work of the relativistic mean field theory. The influence of the delta-field turns out to be quite different and generally weaker for hyperonic neutron star matter as compared to that for npe mu neutron star matter. We find that inclusion of the delta-field enhances the strangeness content slightly and consequently moderately softens the EOS of neutron star matter in its hyperonic phase. As for the composition of hyperonic star matter, the effect of the delta-field is shown to shift the onset of the negatively-charged (positively-charged) hyperons to slightly lower (higher) densities and to enhance (reduce) their abundances. The influence of the delta-field on the maximum mass of hyperonic neutron stars is found to be fairly weak, where as inclusion of the delta-field turns out to enhance sizably both the radii and the moments of inertia of neutron stars with given masses. It is also shown that the effects of the delta-field on the properties of hyperonic neutron stars remain similar in the case of switching off the Sigma hyperons.
Resumo:
The properties of the Z = 117 isotopic chain are studied within the framework of the axially deformed relativistic mean field theory (RMFT) in the blocked BCS approximation. The ground-state properties, such as binging energies, deformations as well as the possible.. decay energies and lifetimes are calculated with the parameter set of NL-Z2 and compared with results from the finite range droplet model. The analysis by RMFT shows that the isotopes in the range of mass number A = 291 similar to 300 exhibit higher stability, which suggests that they may be promising nuclei to be hopefully synthesized in the lab among the nuclei Z = 117.
Resumo:
A fully consistent relativistic continuum random phase approximation (RCRPA) is constructed in terms of the Green's function technique. In this method the contribution of the continuum spectrum to nuclear excitations is treated exactly by the single particle Green's function, which includes also the negative states in the Dirac sea in the nose aapproximation. The theoretical formalism of RCRPA and numerical details are presented. The single particle Green's function is calculated numerically by a proper product of regular and irregular solutions of the Dirac equation. The numerical details and the formalism of RCRPA in the momentum representation are presented.
Resumo:
Computer simulation has revealed that dual nanostructures for the development of nanodevices as nanowires, optical nanofibres and nanobatteries be obtained by the self-assembly of block copolymers confined geometry. The formation of individual nanostructures depends on the structures of block copolymers the confinement geometry and the interactions block copolymers and the boundary of the confinement geometry. In order to obtain individual nanostructures experimentally, attention needs to be paid to the manufacture of the confinement geometry and the design of the interactions between block copolymers and the boundary of the confinement geometry, The recently developed lithography technique should make experiments successful.
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A theoretical description. based on chemical kinetics and electrochemistry, is given of DNA separation in dilute polymer solution by capillary electrophoresis. A self-consistent model was developed leading to predictions of the DNA electrophoretic velocity as a function of the experimental conditions - polymer concentration, temperature, and electric field strength. The effect of selected experimental variables is discussed. The phenomena discussed are illustrated for the example of 100 bp DNA ladder separation in dilute HPMC solution by capillary electrophoresis. This model is the first single model that can fully explain the dependence of DNA electrophoretic velocity on electrophoretic conditions.
Resumo:
In order to study the failure of disordered materials, the ensemble evolution of a nonlinear chain model was examined by using a stochastic slice sampling method. The following results were obtained. (1) Sample-specific behavior, i.e. evolutions are different from sample to sample in some cases under the same macroscopic conditions, is observed for various load-sharing rules except in the globally mean field theory. The evolution according to the cluster load-sharing rule, which reflects the interaction between broken clusters, cannot be predicted by a simple criterion from the initial damage pattern and even then is most complicated. (2) A binary failure probability, its transitional region, where globally stable (GS) modes and evolution-induced catastrophic (EIC) modes coexist, and the corresponding scaling laws are fundamental to the failure. There is a sensitive zone in the vicinity of the boundary between the GS and EIC regions in phase space, where a slight stochastic increment in damage can trigger a radical transition from GS to EIC. (3) The distribution of strength is obtained from the binary failure probability. This, like sample-specificity, originates from a trans-scale sensitivity linking meso-scopic and macroscopic phenomena. (4) Strong fluctuations in stress distribution different from that of GS modes may be assumed as a precursor of evolution-induced catastrophe (EIC).
Resumo:
A general incremental micromechanical scheme for the nonlinear behavior of particulate composites is presented in this paper. The advantage of this scheme is that it can reflect partly the effects of the third invariant of the stress on the overall mechanical behavior of nonlinear composites. The difficulty involved is the determination of the effective compliance tensors of the anisotropic multiphase composites. This is completed by making use of the generalized self-consistent Mori-Tanaka method which was recently developed by Dai et al. (Polymer Composites 19(1998) 506-513; Acta Mechanica Solida 18 (1998) 199-208). Comparison with existing theoretical and numerical results demonstrates that the present incremental scheme is quite satisfactory. Based on this incremental scheme, the overall mechanical behavior of a hard-particle reinforced metal matrix composite with progressive particle debonding damage is investigated.
Resumo:
We present a model in this paper for predicting the inverse Hall-Petch phenomenon in nanocrystalline (NC) materials which are assumed to consist of two phases: grain phase of spherical or spheroidal shapes and grain boundary phase. The deformation of the grain phase has an elasto-viscoplastic behavior, which includes dislocation glide mechanism, Coble creep and Nabarro-Herring creep. However the deformation of grain boundary phase is assumed to be the mechanism of grain boundary diffusion. A Hill self-consistent method is used to describe the behavior of nanocrystalline pure copper subjected to uniaxial tension. Finally, the effects of grain size and its distribution, grain shape and strain rate on the yield strength and stress-strain curve of the pure copper are investigated. The obtained results are compared with relevant experimental data in the literature.
Resumo:
In the present paper, argon (Ar) plasmas in a bell jar inductively coupled plasma (ICP) source are systematically studied over pressures from 5 to 20 mtorr and power inputs from 0.2 to 0.5 kW. In this study, both a two-dimensional (2-D) fluid model simulation and global model calculation are compared, The 2-D fluid model simulation with a self-consistent power deposition is developed to describe the Ar plasma behavior as well as predict the plasma parameter distributions, Finally, a quantitative comparison between the global model and the fluid model is made to test their validity.
Resumo:
Using a variational method, a general three-dimensional solution to the problem of a sliding spherical inclusion embedded in an infinite anisotropic medium is presented in this paper. The inclusion itself is also a general anisotropic elastic medium. The interface is treated as a thin interface layer with interphase anisotropic properties. The displacements in the matrix and the inclusion are expressed as polynomial series of the cartesian coordinate components. Using the virtual work principle, a set of linear algebraic equations about unknown coefficients are obtained. Then the general sliding spherical inclusion problem is accurately solved. Based on this solution, a self-consistent method for sliding polycrystals is proposed. Combining this with a two-dimensional model of an aggregate polycrystal, a systematic analysis of the mechanical behaviour of sliding polycrystals is given in detail. Numerical results are given to show the significant effect of grain boundary sliding on the overall mechanical properties of aggregate polycrystals.