Hole levels and exciton states in CdS nanocrystals

We have studied the hole levels and exciton states in CdS nanocrystals by using the hole effective-mass Hamiltonian for wurtzite structure. It is found that the optically passive P-x state will become the ground hole state for small CdS quantum dots of radius less than 69 Angstrom. It suggests that the "dark exciton" would be more easily observed in the CdS quantum dots than that in CdSe quantum dots. The size dependence of the resonant Stokes shift is predicted for CdS quantum dots. Including the Coulomb interaction, exciton energies as functions of the dot radius are calculated and compared with experimental data.

Exciton states and optical spectra in CdSe nanocrystallite quantum dots

By using the hole effective-mass Hamiltonian for semiconductors with the wurtzite structure, we have studied the exciton states and optical spectra in CdSe nanocrystallite quantum dots. The intrinsic asymmetry of the hexagonal lattice structure and the effect of spin-orbital coupling (SOC) on the hole states are investigated. It is found that the strong SOC limit is a good approximation for hole states. The selection rules and oscillator strengths for optical transitions between the conduction- and valence-band states are obtained. The Coulomb interaction of exciton states is also taken into account. In order to identify the exciton states, we use the approximation of eliminating the coupling of Gamma(6)(X, Y) with Gamma(1)(Z) states. The results are found to account for most of the important features of the experimental photoluminescence excitation spectra of Norris ct nl. However, if the interaction between Gamma(6)(X, Y) and Gamma(1)(Z) states is ignored, the optically passive P-x state cannot become the ground hole state for small CdSe quantum dots of radius less than 30 Angstrom. It is suggested that the intrinsic asymmetry of the hexagonal lattice structure and the coupling of Gamma(6)(X,Y) with Gamma(1)(Z) states are important for understanding the "dark exciton" effect.

Pressure behaviour of self-assembled In0.55Al0.45As/Al0.5Ga0.5As quantum dots with multi-modal distribution in size

The pressure behaviour of In0.55Al0.45As/Al0.5Ga0.5As self-assembled quantum dots (QDs) has been studied at 15 K in the pressure range of 0-1.3 GPa. The atomic force microscopy image shows that the QDs have a multi-modal distribution in size. Three emission peaks were observed in the photoluminescence (PL) spectra, corresponding to the different QD families. The measured pressure coefficients are 82, 93 and 98 meV GPa(-1) for QDs with average lateral size of 26, 52 and 62 nm, respectively. The pressure coefficient of small QDs is about 17% smaller than that of bulk In0.55Al0.45As An envelope-function calculation was used to analyse the effect of pressure-induced change of barrier height, effective mass and dot size on the pressure coefficients of QDs. The Gamma-X state mixing was also included in the evaluation of the reduction of the pressure coefficients. The results indicate that both the pressure-induced increase of effective mass and Gamma-X mixing respond to the decrease of pressure coefficients, and the Gamma-X mixing is more important for small dots. The calculated Gamma-X interaction potentials are 15 and 10 meV for QDs with lateral size of 26 and 52 nm, respectively. A type-II alignment for the X conduction band is suggested according to the pressure dependence of the PL intensities. The valence-band offset was then estimated as 0.15 +/- 0.02.

Infrared absorption efficiency in AlAs/AlxGa1-xAs type-II multiple-quantum-well structure grown on (211) GaAs substrate

We have made a normal incidence high infrared absorption efficiency AlAs/Al0.55Ga0.45As multiple-quantum-well structure grown on (211) GaAs substrates by molecular beam epitaxy (MBE). A strong infrared absorption signal at 11.6 mu m due to the transition of the ground state to the first excited state, and a small signal at 6.8 mu m due to the transition from the ground state to continuum. were observed. A 45 degrees tilted incidence measurement was also performed on the same sample for the comparison with a normal incidence measurement. Both measurements provide important information about the quantum well absorption efficiency. Efficiencies which evaluate the absorption of electric components perpendicular and parallel to the well plane are eta(perpendicular to) = 25% and eta(parallel to) = 88%, respectively. The total efficiency is then deduced to be eta = 91%. It is apparent that the efficiency eta(parallel to) dominates the total quantum efficiency eta Because an electron in the (211) AlAs well has a small effective mass (m(zx)* or m(zy)*), the normal incidence absorption coefficient is expected to be higher:than that grown on (511) and (311) substrates. Thus, in the present study, we use the (211) substrate to fabricate QWIP. The experimental results indicate the potential of these novel structures for use as normal incidence infrared photodetectors.

Binding energy of excitons bound to neutral donors in two-dimensional semiconductors

The binding energies of excitons bound to neutral donors in two-dimensional (2D) semiconductors within the spherical-effective-mass approximation, which are nondegenerate energy bands, have been calculated by a variational method for a relevant range of the effective electron-to-hole mass ratio sigma. The ratio of the binding energy of a 2D exciton bound to a neutral donor to that of a 2D neutral donor is found to be from 0.58 to 0.10. In the limit of vanishing sigma and large sigma, the results agree fairly well with previous experimental results. The results of this approach are compared with those of earlier theories.

Wavelength tuning in GaAsAlGaAs quantum wells by InAs submonolayer insertion

Wavelength tuning of exciton emissions has been achieved simply by inserting an InAs submonolayer at the centre of GaAs quantum wells during molecular beam epitaxy growth. Photoluminescence measurements show that the emission energy can be effectively tuned from the quantum-well-determined energy down to less than the band gap of GaAs, depending on the well width as well as the InAs layer thickness. Using the effective-mass approximation, the tuning effect can be well predicted theoretically The results reported here may provide an alternative way to tune the wavelength in optoelectronic devices.

Formation, structure and fluorescence of CdS clusters in a mesoporous zeolite

CdS clusters are formed in the pores of a mesoporous zeolite in which the size of the clusters may be adjusted. The size of the clusters increases as the CdS loading is increased. X-ray diffraction investigation shows that the lattice constants of the clusters contract upon increasing size. This contraction is attributed to an increase of the static pressure exercised by the zeolite framework as the clusters grow bigger. Both the excitonic and trapped emission bands are detected and become more intensive upon decreasing size. Three absorption bands appear in the photoluminescence excitation (PLE) spectra and they shift to the blue as cluster size decreases. Based on the effective-mass approximation, the three bands are assigned to the 1S-1S, 1S-1P and 1S-1D transitions, respectively. The size-dependence of the PLE spectra can also be explained. (C) 1997 Elsevier Science Ltd.

Electronic structures of wurtzite ZnO and ZnO/MgZnO quantum well

The band structures of wurtzite ZnO are calculated using the empirical pseudopotential method (EPM). The 8 parameters of the Zn and O atom pesudopotential form factors with Schluter's formula are obtained. The effective mass parameters are extracted by using k.p Hamiltonian to fit the EPM results. The calculated band edge energies (E-g, E-A, E-B, and E-C) at Gamma point are in good agreement with experimental results. The ordering of ZnO at the top of valence band is found to be A(Gamma(7))-B(Gamma(9))-C(Gamma(7)) due to a negative spin-orbit (SO) splitting. Based on the band parameters obtained, the valence hole subbands of wurzite ZnO/MgxZn1-xO tensile-strained quantum wells (QWs) with different well widths and Mg compositions are calculated using 6-band k.p method. (c) 2005 Elsevier B.V. All rights reserved.

Electronic states of InAs verfically-assembled quantum disks in magnetic fields and two-electron quantum-disk qubit

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.

BAND-STRUCTURE OF MG1-XZNXSYSE1-Y

The empirical pseudopotential method within the virtual crystal approximation is used to calculate the band structure of Mg1-xZnySySe1-y, which has recently been proved to be a potential semiconductor material for optoelectronic device applications in the blue spectral region. It is shown that MgZnSSe can be a direct or an indirect semiconductor depending on the alloy composition. Electron and hole effective masses are calculated for different compositions. Polynomial approximations are obtained for both the energy gap and the effective mass as functions of alloy composition at the GAMMA valley. This information will be useful for the future design of blue wavelength optoelectronic devices as well as for assessment of their properties.

DISTRIBUTION FUNCTION OF A DRIFTING ELECTRON-GAS FOR GENERAL ENERGY-BAND STRUCTURES

The usual application of the Lei-Ting balance equation method for treating electron transport problems makes use of a Fermi distribution function for the electron motion relative to the center of mass. It is pointed out that this presumes the existence of a moving frame of reference that is dynamically equivalent to the rest frame of reference, and this is only true for electrons with a constant effective mass. The method is thus inapplicable to problems where electrons governed by a general energy-band dispersion E(k) are important (such as in miniband conduction). It is demonstrated that this difficulty can be overcome by introducing a distribution function for a drifting electron gas by maximizing the entropy subject to a prescribed average drift velocity. The distribution function reduces directly to the usual Fermi distribution for electron motion relative to the center of mass in the special case of E(k)=($) over bar h(2)\k\(2)/2m*. This maximum entropy treatment of a drifting electron gas provides a physically more direct as well as a more general basis for the application of the balance equation method.

EFFECTS OF AN EXTERNAL MAGNETIC-FIELD ON SHALLOW DONOR LEVELS IN SEMICONDUCTORS

An extension of Faulkner's method for the energy levels of the shallow donor in silicon and germanium at zero field is made in order to investigate the effects of a magnetic field upon the excited states. The effective-mass Hamiltonian matrix elements of an electron bound to a donor center and subjected to a magnetic field B, which involves both the linear and quadratic terms of magnetic field, are expressed analytically and matrices are solved numerically. The photothermal ionization spectroscopy of phosphorus in ultrapure silicon for magnetic fields parallel to the [1,0,0] and [1,1,1] directions and up to 10 T is explained successfully.

HYDROGEN-RELATED DONOR IN SILICON-CRYSTALS GROWN IN A HYDROGEN ATMOSPHERE

Neutron transmutation doped (NTD) silicon crystals grown in a hydrogen atmosphere have been investigated by infrared absorption spectroscopy at a low temperature (10 K). An effective-mass-like donor state HD0/+ has been found at 110.8 me V below the conduction band bottom after rapid thermal annealing (RTA). The HD0/+ formation mechanism after NTD and RTA is briefly discussed, and tentatively attributed to H atoms present in the vicinity of some residual irradiation defects, like a complex of a H atom and a H-saturated vacancy.

ELECTRONIC-STRUCTURES OF QUANTUM WIRES FORMED BY LATERAL STRAIN

The electronic structures of quantum wires formed by lateral strain are studied in the framework of the effective-mass envelope-function method. The hole energy levels, wave functions, and optical transition matrix elements are calculated for the real quantum-wire structure, and the results are compared with experiment. It is found that one-dimensional confinement effects exist for both electronic and hole states related to the n (001) = 1 state. The lateral strained confinement causes luminescence-peak redshifts and polarization anisotropy, and the anisotropy is more noticeable than that in the unstrained case. The variation of hole energy levels with well widths in the [110] and [001] directions and wave vector along the [110BAR] direction are also obtained.

SEMICLASSICAL AND ENVELOPE-FUNCTION TREATMENT OF MAGNETIC LEVELS IN SUPERLATTICES UNDER AN INPLANE MAGNETIC-FIELD

The theoretical treatment of magnetic levels formed in the minibands of superlattices under an in-plane magnetic field is discussed. It is found that the results of semiclassical and envelope-function treatments based on miniband structures are in good agreement with the results calculated strictly by the quantum-mechanical method, so long as the critical parameter 2hc/eBL2 is larger than 1. The wave functions obtained are in the nature of superlattice envelope functions, which are over and above the usual effective-mass envelope functions for bulk materials.