Tuning of energy levels and optical properties of graphene quantum dots

We investigate theoretically the magnetic levels and optical properties of zigzag- and armchair-edged hexagonal graphene quantum dots (GQDs) utilizing the tight-binding method. A bound edge state at zero energy appears for the zigzag GQDs in the absence of a magnetic field. The magnetic levels of GQDs exhibit a Hofstadter-butterfly spectrum and approach the Landau levels of two-dimensional graphene as the magnetic field increases. The optical properties are tuned by the size, the type of the edge, and the external magnetic field.

Electronic energy levels in an asymmetric quantum-dots-in-a-well structure for infrared photodetectors

Theoretical calculation of electronic energy levels of an asymmetric InAs/InGaAS/GaAS quantum-dots-in-a-well (DWELL) structure for infrared photodetectors is performed in the framework of effective-mass envelope-function theory. Our calculated results show that the electronic energy levels in quantum dots (QDs) increase when the asymmetry increases and the ground state energy increases faster than the excited state energies. Furthermore, the results also show that the electronic energy levels in QDs decrease as the size of QDs and the width of quantum well (QW) in the asymmetric DWELL structure increase. Additionally, the effects of asymmetry, the size of QDs and the width of QW on the response peak of asymmetry DWELL photodetectors are also discussed.

Mg acceptor energy levels in AlxInyGa1-x-yN quaternary alloys: An approach to overcome the p-type doping bottleneck in nitrides

The Mg-Ga acceptor energy levels in GaN and random Al8In4Ga20N32 quaternary alloys are calculated using the first-principles band-structure method. We show that due to wave function localization, the MgGa acceptor energy level in the alloy is significantly lower than that of GaN, although the two materials have nearly identical band gaps. Our study demonstrates that forming AlxInyGa1-x-yN quaternary alloys can be a useful approach to lower acceptor ionization energy in the nitrides and thus provides an approach to overcome the p-type doping difficulty in the nitride system.

Energy Levels of Hydrogenic Impurities in InAs Quantum Ring

The distribution of energy levels of the ground state and the low-lying excited states of hydrogenic impurities in InAs quantum ring was investigated by applying the effective mass approximation and the perturbation method. In 2D polar coordinates, the exact solution to the Schrodinger equation was used to calculate the perturbation integral in a parabolic confinement potential. The numerical results show that the energy levels of electron are sensitively dependent on the radius of the quantum ring and a minimum exists on account of the parabolic confinement potential. With decreasing the radius, the energy spacing between energy levels increases. The degenerate energy levels of the first excited state for hydrogenic impurities are not relieved, and when the degenerate energy levels are split and the energy spacing will increase with the increase in the radius. The energy spacing between energy levels of electron is also sensitively dependent on the angular frequency and will increase with the increases in it. The degenerate energy levels of the first excited state are not relieved. The degenerate energy levels of the second excited state are relieved partially. The change in angular frequency will have a profound effect upon the calculation of the energy levels of the ground state and the low-lying excited states of hydrogenic impurities in InAs quantum ring. The conclusions of this paper will provide important guidance to investigating the optical transitions and spectral structures in quantum ring.

Investigation of Electronic Energy Levels in InAs Quantum Dot with Shape of Lens by Using B-Spline Technique

The dependence of the electronic energy levels on the size of quantum dots (QDs) with the shape of spherical lens is studied by using the B-spline technique for the first time. Within the framework of the effective-mass theory, the values of electronic energy levels are obtained as a function of the height, radius and volume of QDs, respectively. When the height or radius of QDs increases, all the electronic energy levels lower, and the separations between the energy levels decrease. For lens-shape QDs, height is the key factor in dominating the energy levels comparing with the effect of radius, especially in dominating the ground-state level. These computational results are compared with that of other theoretical calculation ways. The B-spline technique is proved to be an effective way in calculating the electronic structure in QDs with the shape of spherical lens.

Calculation of energy levels in InGaAs/GaAs quantum dot array

The subbands of the ground state E-c1, the first excited state E-c2 and heavy hole state E-HH1 are calculated by solving the eigenvalues of effective-mass Hamiltonian H-0 which is derived from eight-band k . p theory and the calculations are performed at k(x) = k, = k = 0 for the three-dimensional array of InGaAs/GaAs quantum dots (QDs). With indium content in InGaAs QDs gradually increasing from 30% to 100%,the intersubband transition wavelength of E-c2 to E-c1, blue-shifts from 18.50 to 11.87 mu m,while the transition wavelength of E-c1, to E-HH1, red-shifts from 1. 04 to 1. 73 mu m. With the sizes of Ir-0.5 Ga-0.5 As and InAs QDs increasing from 1.0 to 5.0 nm, the intersubband transition from E-c1, to E-C2 transforms from bound-state-to-continuum-state to bound-state-to-bound-state, and the corresponding intersubband transition wavelengths red-shift from 8.12 pm (5.90 pm) to 53.47 mu m (31.87 pm), respectively, and the transition wavelengths of E-C1 to E-HH1 red-shift from 1. 13 mu m (1.60 mu m) to 1.27 mu m (2.01 mu m), respectively.

Impact of symmetrized and Burt-Foreman Hamiltonians on spurious solutions and energy levels of InAs/GaAs quantum dots

We present a systematic investigation of calculating quantum dots (QDs) energy levels using finite element method in the frame of eight-band k . p method. Numerical results including piezoelectricity, electron and hole levels, as yell as wave functions are achieved. In the calculation of energy levels, we do observe spurious solutions (SSs) no matter Burt-Foreman or symmetrized Hamiltonians are used. Different theories are used to analyse the SSs, we find that the ellipticity theory can give a better explanation for the origin of SSs and symmetrized Hamiltonian is easier to lead to SSs. The energy levels simulated with the two Hamiltonians are compared to each other after eliminating SSs, different Hamiltonians cause a larger difference on electron energy levels than that on hole energy levels and this difference decreases with the increase of QD size.

INFLUENCE OF THE 90-DEGREES PARTIAL DISLOCATION CORE STRUCTURE IN SILICON ON ENERGY-LEVELS

An LCAO-scheme taking into account 10 atomic orbitals (s-, p-, and d-type) is used to calculate the electronic structure of the reconstructed 90-degrees partial dislocation in Si. Two different valence force fields producing deviating results are used for modelling the core structure. Geometrical data published by another group is also used. The aim is to explore the influence of geometry on energy levels. We find that the band structure depends sensitively on bond angles. Using data determined by the Tersoff potential we obtain two bands of which the upper one penetrates deeply into the indirect band gap while the geometry minimizing the simple Keating potential leaves the gap completely clear of dislocation states. Thus, from a theoretical point of view, the chief difficulty in calculating the electronic structure of the reconstructed 90-degrees partial is the lack of accurate structural information.

IDENTIFICATION OF THE ENERGY-LEVELS OF SI-RH

Two thermostable levels E(0.31) and E(0.58) related to Rh in Si were observed using deep level transient spectroscopy and double correlation deep level transient spectroscopy techniques. By means of thermal annealing and electron irradiation, the microscopic natures of these levels were identified for the first time. The levels E(0.31) and E(0.58) arise from by the same impurity center but have different charge states. Their microstructures are not related to a pure substitutional Rh atom, but correspond to a complex. This result is compared to our self-consistent theoretical calculation.

Gravitational corrections to energy-levels of a hydrogen atom

The first-order perturbations of the energy levels of a hydrogen atom in central internal gravitational field are investigated. The internal gravitational field is produced by the mass of the atomic nucleus. The energy shifts are calculated for the relativistic 1S, 2S, 2P, 3S, 3P, 3D, 4S, and 4P levels with Schwarzschild metric. The calculated results show that the gravitational corrections are sensitive to the total angular momentum quantum number.

Identification of high-lying odd energy levels of uranium by resonant ionization mass spectrometry

Single-colour and two-colour multiphoton resonant ionization spectra of uranium atom were studied extensively with a Nd: YAG laser-pumped dye laser atomic beam apparatus time-of-flight mass spectrometer in our laboratory. The energy locations of high-lying odd-parity levels in the region 33 003-34 264 cm(-1),mearured by a two-colour three-step ionization technique, were reported here. The angular momentum quantum number J was uniquely assigned for these levels by using angular momentum selection rules.

Energy of a polaron in a wurtzite nitride finite parabolic quantum well

The effects of electron-phonon interaction oil energy levels of a. polaron in a wurtzite nitride finite parabolic quantum well (PQW) are studied by using a modified Lee-Low-Pines variational method. The ground state, first excited state, and transition energy of the polaron in the GaN/Al0.3Ga0.7N wurtzite PQW are calculated by taking account of the influence of confined LO(TO)-like phonon modes and the half-space LO(TO)-like phonon modes and considering the anisotropy of all kinds of phonon modes. The numerical results are given and discussed. The results show that the electron phonon interaction strongly affects the energy levels of the polaron, and the contributions from phonons to the energy of a polaron hi a wurtzite nitride PQW are greater than that in all AlGaAs PQW. This indicates that the electron-phonon interaction in a wurtzite nitride PQW is not negligible.