Quantum Confinement Effects and Electronic Properties of SnO2 Quantum Wires and Dots

On the basis of the density functional theory (DFT) within local density approximations (LDA) approach, we calculate the band gaps for different size SnO2 quantum wire (QWs) and quantum dots (QDs). A model is proposed to passivate the surface atoms of SnO2 QWs and QDs. We find that the band gap increases between QWs and bulk evolve as Delta E-g(wire) = 1.74/d(1.20) as the effective diameter d decreases, while being Delta E-g(dot) = 2.84/d(1.26) for the QDs. Though the similar to d(1.2) scale is significantly different from similar to d(2) of the effective mass result, the ratio of band gap increases between SnO2 QWs and QDs is 0.609, very close to the effective mass prediction. We also confirm, although the LDS calculations underestimate the band gap, that they give the trend of band gap shift as much as that obtained by the hybrid functional (PBE0) with a rational mixing of 25% Fock exchange and 75% of the conventional Perdew-Burke-Ernzerhof (PBE) exchange functional for the SnO2 QWs and QDs. The relative deviation of the LDA calculated band gap difference Lambda E-g compared with the corresponding PBE0 results is only within 5%. Additionally, it is found the states of valence band maximum (VBM) and conduction band minimum (CBM) of SnO2 QWs or QDs have a mostly p- and s-like envelope function symmetry, respectively, from both LDA and PBE0 calculations.

Quantum Confinement Effects in Strained Si Ge/Si Multiple Quantum Wells

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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.

Geometrical-confinement effects on two electrons in elliptical quantum dots

The effects of the geometrical shape on two electrons confined in a two-dimensional parabolic quantum dot and subjected to an external uniform magnetic field have been calculated using a variational-perturbation method based on a direct construction of trial wave functions. The calculations show that both the energy levels and the spin transition of two electrons in elliptical quantum dots are dramatically influenced by the shape of the dots. The ground states with total spin S=0 and S=1 are affected greatly by changing the magnetic field and the geometrical confinement. The quantum behavior of elliptical quantum dots show some relation to that of laterally coupled quantum dots. For a special geometric configuration of the confinement omega(y)/omega(x)=2.0, we encounter a characteristic magnetic field at which spin singlet-triplet crossover occurs. (c) 2007 American Institute of Physics.

OBSERVATION OF CAVITY QUANTUM-ELECTRODYNAMIC EFFECTS IN A ND-GLASS MICROSPHERE

In a Nd:glass microspherical cavity the enhancement and inhibition of spontaneous-emission processes that are due to cavity QED effects have been observed. The rates of the enhanced spontaneous emission are location dependent and reach a maximum value of more than 10(3) times the free-space value. The large enhancement strongly modifies the decay processes of Nd ions in glass, and the radiative properties of Nd:glass have been changed. As a result a new spectrum including new lasing wavelengths in the Nd:glass sphere has been observed.

Quantum interference effects of two coherent population trapping states on the atomic spectral lines of a F-e=0 -> F-g=1 transition

We investigate the fluorescence spectrum in a nearly degenerate atomic system of a F-e = 0 -> F-g = 1 transition by analytically solving Schrodinger equations. An ultranarrow fluorescence spectral line in between the two coherent population trapping windows has been found. Our analytic solutions clearly show the origin of the ultranarrow spectral line. Due to quantum interference effects between two coherent population trapping states, the width and intensity of the central spectral line can be controlled by an external magnetic field. Such an effect may be used to detect a magnetic field.

Quantum Confinement and Electronic Properties of Rutile TiO2 Nanowires

The quantum confinement effect, electronic properties, and optical properties of TiO2 nanowires in rutile structure are investigated via first-principles calculations. We calculate the size- and shape-dependent band gap of the nanowires and fit the results with the function E-g = E-g(bulk) + beta/d(alpha). We find that the quantum confinement effect becomes significant for d < 25 angstrom, and a notable anisotropy exists that arises from the anisotropy of the effective masses. We also evaluate the imaginary part of the frequency-dependent dielectric function [epsilon(2)(omega)] within the electric-dipole approximation, for both the polarization parallel [epsilon(parallel to)(2)(omega)] and the perpendicular [epsilon 1/2(omega)] to the axial (c) direction. The band structure of the nanowires is calculated, with which the fine structure of epsilon(parallel to)(2)(omega) has been analyzed.

High-temperature electron-hole liquid and dynamics of Fermi excitons in a In0.65Al0.35As/Al0.4Ga0.6As quantum dot array

State-filling effects of the exciton in a In0.65Al0.35As/Al0.4Ga0.6As quantum dot array are observed by quantum dot array photolumineseence at a sample temperature of 77 K. The exciton emission at low excitation density is dominated by the radiative recombination of the states in the s shell and at high excitation density the emission mainly results from the radiative recombination of the exciton state in the p shell. The spectral interval between the states in the s and p shells is about 30-40 mcV. The time resolved photoluminescence shows that the decay time of exciton states in the p shell is longer than that of exciton states in the s shell, and the emission intensity of the exciton state in the p shell is superlinearly dependent on excitation density. Furthermore, electron-hole liquid in the quantum dot array is observed at 77 K, which is a much higher temperature than that in bulk. The emission peak of the. recombination, of electron-hole liquid has an about 200 meV redshift from the exciton fluorescence. Two excitation density-dependent emission peaks at 1.56 and 1.59 eV are observed, respectively, which result from quantum confinement effects in QDs. The emission intensity of electron-hole liquid is directly proportional to the cubic of excitation densities and its decay time decreases significantly at the high excitation density.

Chemical trends of defect formation in Si quantum dots: The case of group-III and group-V dopants

Using first-principles methods, we have systematically calculated the defect formation energies and transition energy levels of group-III and group-V impurities doped in H passivated Si quantum dots (QDs) as functions of the QD size. The general chemical trends found in the QDs are similar to that found in bulk Si. We show that defect formation energy and transition energy level increase when the size of the QD decreases; thus, doping in small Si QDs becomes more difficult. B-Si has the lowest acceptor transition energy level, and it is more stable near the surface than at the center of the H passivated Si QD. On the other hand, P-Si has the smallest donor ionization energy, and it prefers to stay at the interior of the H passivated Si QD. We explained the general chemical trends and the dependence on the QD size in terms of the atomic chemical potentials and quantum confinement effects.

Quantum mechanical effects in nanometer field effect transistors

The atomistic pseudopotential quantum mechanical calculations for million atom nanosized metal-oxide-semiconductor field-effect transistors (MOSFETs) are presented. When compared with semiclassical Thomas-Fermi simulation results, there are significant differences in I-V curve, electron threshold voltage, and gate capacitance. In many aspects, the quantum mechanical effects exacerbate the problems encountered during device minimization, and it also presents different mechanisms in controlling the behaviors of a nanometer device than the classical one. (c) 2007 American Institute of Physics.

Photoluminescence of InAs quantum dots grown on GaAs surface

InAs quantum dots (QDs) grown on GaAs surface are investigated. The observed abnormal photoluminescence (PL) properties, including extremely sharp high-energy peaks, almost temperature-independent linewidth, and fast thermal quenching, are discussed in terms of the strong quantum confinement effects due to the absence of a cap layer and the lack of carrier redistribution channel caused by the small number of QDs capable of contributing to PL and the high-density surface defects. (C) 2000 American Institute of Physics. [S0003-6951(00)01244-4].

Quantum-confinement-effect-driven type-I-type-II transition in inhomogeneous quantum dot structures

We investigate the electronic structures of the inhomogeneous quantum dots within the framework of the effective mass theory. The results show that the energies of electron and hole states depend sensitively on the relative magnitude 77 of the core radius to the capped quantum dot radius. The spatial distribution of the electrons and holes vary significantly when the ratio eta changes. A quantum-confinement-driven type-II-type-I transition is found in GaAs/AlxGa1-xAs-capped quantum dot structures. The phase diagram is obtained for different capped quantum dot radii. The ground-state exciton binding energy shows a highly nonlinear dependence on the innner structures of inhomogeneous quantum dots, which originates from the redistribution of the electron and hole wave functions.

Quantum confinement of phonon modes in GaAs quantum dots

Phonon modes in spherical GaAs quantum dots (QDs) with up to 11,855 atoms (8 nm in size) are calculated by using an empirical microscopic model. The group theory is employed to reduce the computational intensity, which further allows us to investigate the quantum confinement of phonon modes with different symmetries and reveals a phenomenon that phonon modes with different symmetries have different quantum confinement effect. For zinc-blende structure, the modes with the A(1) symmetry has the strongest quantum confinement effect and the T-1 modes the weakest. This could cause a crossover of symmetries of the highest frequency from A(1) to T-2 when the size of QDs decreases. (C) 1999 Elsevier Science Ltd, All rights reserved.

Quantum confinement effect in silicon quantum-well layers

The electronic states and optical transition properties of silicon quantum-well layers embedded by SiO2 layers are studied by the empirical pseudopotential homojunction model. The energy bands, wave functions, and the optical transition matrix elements are obtained for layers of thickness from 1 to 6 nm, and three oriented directions (001), (110), and (111). It is found that for Si layers in the (001) direction the energy gap is pseudodirect, for these in the (111) direction the energy gap is indirect, while for those in the (110) direction the energy gap is pseudodirect or indirect for a thickness smaller or larger than 3 nm, respectively. The optical transition matrix elements are smaller than that of diner transition, and increase with decreasing layer thickness. When the thickness of a layer is smaller than 2 nm, the Si QW layers have larger transition matrix elements. It is caused by mixing of bulk X states with the Gamma(1) state. The calculated results are compared with experimental results.

Optical responses of ZnSe quantum dots in silica gel glasses

The characteristic features of the absorption and photoluminescence spectra of ZnSe quantum dots (QDs) inside a silica matrix derived from a sol-gel method were studied at room temperature. Compared with the bulk materials, the absorption edges of ZnSe QDs in silica gel glass were shifted to higher energies and the spectra exhibited the discrete excitonic features due to the quantum confinement effects. Besides the band-edge emission, photoluminescence at ultraviolet excitation also showed the emissions related to the higher excitonic states. (C) 2004 Elsevier B.V. All rights reserved.