124 resultados para LYING ELECTRONIC STATES

em Chinese Academy of Sciences Institutional Repositories Grid Portal


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For the first time, we have studied the potential-energy curves, spectroscopic terms, vibrational levels, and the spectroscopic constants of the ground and low-lying excited states of NiI by employing the complete active space self-consistent-field method with relativistic effective core potentials followed by multireference configuration-interaction calculations. We have identified six low-lying electronic states of NiI with doublet spin multiplicities, including three states of Delta symmetry and three states of Pi symmetry of the molecule within 15 000 cm(-1). The lowest (2)Delta state is identified as the ground state of NiI, and the lowest (2)Pi state is found at 2174.56 cm(-1) above it. These results fully support the previous conclusion of the observed spectra although our computational energy separation of the two states is obviously larger than that of the experimental values. The present calculations show that the low-lying excited states [13.9] (2)Pi and [14.6] (2)Delta are 3 (2)Pi and 3 (2)Delta electronic states of NiI, respectively. Our computed spectroscopic terms, vibrational levels, and spectroscopic constants for them are in good agreement with the experimental data available at present. In the present work we have not only suggested assignments for the observed states but also computed more electronic states that are yet to be observed experimentally. (c) 2005 American Institute of Physics.

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In the framework of the effective mass theory, this paper calculates the electron energy levels of an InAs/GaAs tyre-shape quantum ring (TSQR) by using the plane wave basis. The results show that the electron energy levels are sensitively dependent on the TSQR's section thickness d, and insensitively dependent on TSQR's section inner radius R-1 and TSQR's inner radius R-2. The model and results provide useful information for the design and fabrication of InAs/GaAs TSQRs.

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We propose a method for uniformly calculating the electronic states of a hydrogenic donor impurity in low-dimensional semiconductor nano-structures in the framework of effective-mass envelope-function theory, and we study the electronic structures of this systems. Compared to previous methods, our method has the following merits: (a) It can be widely applied in the calculation of the electronic states of hydrogenic donor impurities in nano-structures of various shapes; (b) It can easily be extended to study the effects of external fields and other complex cases; (c) The excited states are more easily calculated than with the variational method; (d) It is convenient to calculate the change of the electronic states with the position of a hydrogenic donor impurity in nano-structures; (e) The binding energy can be calculated explicitly. (c) 2007 Elsevier B.V. All rights reserved.

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The electronic states of nano-structures are studied in the framework of effective-mass envelope-function theory using the plane wave basis. The barrier width and the number of plane waves are proposed to be 2.5 times the effective Bohr radius and 15(n), respectively, for n-dimensional nano-structures (n = 1,2,3). Our proposals can be widely applied in the design of various nano-structure devices.

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The eight-band effective-mass Hamiltonian of the free-standing narrow-gap InAs quantum ellipsoids is developed, and the electron and hole electronic structures as well as optical properties are calculated by using the model. The energies, wave functions and transition probabilities of quantum spheres as functions of the radius of quantum sphere R is presented. It is found that the energy levels do not vary as 1/R-2, which is caused by the coupling between the conduction and valence bands, and by the constant terms correspond to the spin-orbit splitting energy. The blueshifts of hole states depend strongly on the coupling from electron states, so that the order of hole states changes as has been predicted in experiment. The exciton binding energies are calculated, the calculated excitonic gaps as functions of the ground exciton transition energy are in good agreement with the photoluminescence measured spectra in details. Finally, the hole energy levels and the linear polarization factors in InAs quantum ellipsoids as functions of the aspect ratio are presented. The state 1S(Z up arrow)((1/2)) becomes the hole ground state when e is larger than 2.4. The saturation value of the linear polarization factors of the InAs long ellipsoids of diameter 2.0 nm is 0.86, in agreement with the experimental results.

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In the framework of effective mass envelope function theory, the electronic states of the InAs/GaAs quantum ring are studied. Our model can be used to calculate the electronic states of quantum wells, quantum wires, and quantum dots. In calculations, the effects due to the different effective masses of electrons in rings and out rings are included. The energy levels of the electron are calculated in the different shapes of rings. The results indicate that the inner radius of rings sensitively changes the electronic states. The energy levels of the electron are not sensitively dependent on the outer radius for large rings. If decreasing the inner and outer radii simultaneously, one may increase the energy spacing between energy levels and keep the ground state energy level unchanged. If changing one of two radii (inner or outer radius), the ground state energy level and the energy spacing will change simultaneously. These results are useful for designing and fabricating the double colors detector by intraband and interband translations. The single electron states are useful for studying the electron correlations and the effects of magnetic fields in quantum rings. Our calculated results are consistent with the recent experimental data of nanoscopic semiconductor rings. (C) 2001 American Institute of Physics.

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After capping InAs islands with a thin enough GaAs layer, growth interruption has been introduced. Ejected energy of self-organized InAs/GaAs quantum dots has been successfully tuned in a controlled manner by changing the thickness of GaAs capping layer and the time of growth interruption and InAs layer thickness. The photoluminescence (PL) spectra showing the shift of the peak position reveals the tuning of the electronic states of the QD system. Enhanced uniformity of Quantum dots is observed judging from the decrease of full width at half maximum of FL. Injection InAs/GaAs quantum dot lasers have been fabricated and performed on various frequencies. (C) 2000 Published by Elsevier Science B.V. All rights reserved.

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The electronic state of a two-dimensional electron system (2DES) in the presence of a perpendicular uniform magnetic field and a lateral superlattice (LS) is investigated theoretically. A comparative study is made between a LS induced by a spatial electrostatic potential modulation (referred to as a PMLS) and that induced by a spatial magnetic-field modulation (referred ro asa MMLS). By utilizing a finite-temperature self-consistent Hartree-Fock approximation scheme; the dependence of the electronic state on different system parameters (e.g., the modulation period, the modulation strength, the effective electron-electron interaction strength, the averaged electron density, and the system temperature) is studied in detail. The inclusion of exchange effect is found to bring qualitative changes to the electronic state of a PMLS, leading generally to a nonuniform spin splitting, and consequently the behavior of the electronic state becomes similar to that of a MMLS. The Landau-level coupling is taken into account, and is found to introduce some interesting features not observed before. It is also found that, even in the regime of intermediate modulation strength, the density dependence of the spin splitting of energy levels, either for a PMLS or a MMLS, can be qualitatively understood within the picture of a 2DES in a perpendicular magnetic field with the modulation viewed as a perturbation. [S0163-1829(97)02248-0].

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We have studied the single-electron and two-electron vertically-assembled quantum disks in an axial magnetic field using the effective mass approximation. The electron interaction is treated accurately by the direct diagonalization of the Hamiltonian matrix. We calculate the six criergy levels of single-electron quantum disks and the two lowest energy levels of two-electron quantum disks in an axial magnetic field. The change of the magnetic field as an effective potential strongly modifies the electronic structures. leading to splittings and crossings between levels The results demonstrate the switching between the around states with the total spins S = 0 and S = 1. The switching results in a qubit allowed to fabricate by current growth techniques.

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The electronic states and magnetotransport properties of quantum waveguides (QW's) in the presence of nonuniform magnetic fields perpendicular to the QW plane are investigated theoretically. It is found that the magnetoconductance of those structures as a function of Fermi energy exhibits stepwise variation or square-wave-like oscillations, depending on the specific distributions (both in magnitude and direction) of nonuniform magnetic fields in QW's. We have investigated the dual magnetic strip structures and three magnetic strip structures. The character of the magnetotransport is closely related to the effective magnetic potential and the energy-dispersion spectrum of electron in the structures. It is found that dispersion relations seem to be combined by different sets of dispersion curves that belong to different individual magnetic subwaveguides. The magnetic effective potential leads to the coupling of states and the substantial distortion of the original dispersion curves at the interfaces in which the abrupt change of magnetic fields appears. Magnetic scattering states are created. Only in some three magnetic strip structures, these scattering states produce the dispersion relations with oscillation structures superimposed on the bulk Landau levels. It is the oscillatory behavior in dispersions that leads to the occurrence of square-wave-like modulations in conductance.

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With contributions from both three-dimensional (3D) electrons in heavily doped contacts and 2D electrons in the accumulation layer, a self-consistent calculation based on effective mass theory is presented for studying the anomalous behaviour of the quasi-bound levels in the accumulation layer and that in the central well of an asymmetric double barrier structure (DBS). By choosing the thickness of the incident barrier properly, it is revealed that these two quasi-bound levels may merge into a unique bound level in the off-resonance regime which shows a very good 2D nature in contrast to the conventional picture for level crossing. An evident intrinsic I-V bistability is also shown. It is noticeable that the effect of charge build-up in the central well is so strong that the electric field in the incident barrier even decreases when the applied bias increases within the resonant region.

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GaAs1-xNx alloys with small N composition (x<1%) and GaAsN/GaAs quantum wells (QWs) were studied by continuous wave photoluminescence (PL), pulse wave excitaiton PL and time-resolved PL. In the PL spectra an extra transition located at the higher energy side of the commonly reported N-related emissions was observed. By measuring the PL dependence on temperature and excitation power, the new PL peak was identified as a transition of alloy band edge-related recombination in GaAsN and delocalized transition in QWs. The PL dynamics further confirms its intrinsic nature of band edge states rather than N-related bound states.

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After capping InAs islands with a thin enough GaAs layer, growth interruption has been introduced. Ejected energy of self-organized InAs/GaAs quantum dots has been successfully tuned in a controlled manner by changing the thickness of GaAs capping layer and the time of growth interruption and InAs layer thickness. The photoluminescence (PL) spectra showing the shift of the peak position reveals the tuning of the electronic states of the QD system. Enhanced uniformity of Quantum dots is observed judging from the decrease of full width at half maximum of FL. Injection InAs/GaAs quantum dot lasers have been fabricated and performed on various frequencies. (C) 2000 Published by Elsevier Science B.V. All rights reserved.