Charge Separation in Wurtzite/Zinc-Blende Heterojunction GaN Nanowires

The electronic properties of wurtzite/zinc-blende (WZ/ZB) heterojunction GaN are investigated using first-principles methods. A small component of ZB stacking formed along the growth direction in the WZ GaN nanowires does not show a significant effect on the electronic property, whereas a charge separation of electrons and holes occurs along the directions perpendicular to the growth direction in the ZB stacking. The later case provides an efficient way to separate the charge through controlling crystal structure. These results have significant implications for most state of the art excitonic solar cells and the tuning region in tunable laser diodes.

EFFECT OF IMAGE FORCES ON ELECTRONS CONFINED IN LOW-DIMENSIONAL STRUCTURES UNDER A MAGNETIC-FIELD

We consider the effect of image forces, arising due to a difference in dielectric permeabilities of the well layer and barrier layers, on the energy spectrum of an electron confined in a rectangular potential well under a magnetic field. Depending on the value and the sign of the dielectric mismatch, image forces can localize electrons near the interfaces of the well or in well centre and change the direct intersubband gaps into indirect ones. These effects can be controlled by variation of the magnetic field, offering possibilities for exact tuning of electronic devices.

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.

TUNNELING ESCAPE TIME OF ELECTRONS FROM A QUANTUM-WELL WITH GAMMA-X MIXING EFFECT

By using the envelope function method we calculated the tunneling escape time of electrons from a quantum well. We adopted a simplified interface matrix to describe the GAMMA-X mixing effect, and employed a wave packet method to determine the tunneling escape time. When the GAMMA state in the well was in resonance with the X state in the barrier, the escape time reduced remarkably. However, it was possible that the wave functions in two different channels, i.e., GAMMA-GAMMA-GAMMA and GAMMA-X-GAMMA, could interfere destructively, leading the escape time greater than that of pure GAMMA-GAMMA-GAMMA tunneling.

COHERENT MODEL FOR RESONANT-TUNNELING OF ELECTRONS IN DOUBLE-QUANTUM WELLS UNDER ELECTRIC-FIELDS

Taking the inhomogenous broadening of the electron energy levels into account, a coherent model of the resonant tunneling (RT) of electrons in double quantum wells is presented. The validity of the model is confirmed with the experiments [M. Nido et al., Proc. SPIE 1268, 177 (1990)], and shows that the tunneling process can be explained by the simple coherent theory even in the presence of the carrier scattering. We have discussed the dependence of resonant tunneling on the barrier thickness L(B) by introducing the contrast ratio LAMBDA and the full width at half depth of the RT valley, and found that LAMBDA first increases with increasing barrier thickness, reaches a maximum, and then decreases with a further increase of L(B), in striking contrast to the Fabry-Perot model where a monotonic increase of the peak-to-valley ratio is predicted. We attribute the reduction of LAMBDA with large L(B) to the energy broadening resulting from the carrier scattering. A monotonic decrease of the full width at half depth of the RT valley with an increase of L(R) is also found.

EMPIRICAL PSEUDOPOTENTIAL BAND-STRUCTURE CALCULATION FOR ZN1-XCDXSYSE1-Y QUATERNARY ALLOY

The band structure of the Zn1-xCdxSySe1-y quaternary alloy is calculated using the empirical pseudopotential method and the virtual crystal approximation. The alloy is found to be a direct-gap semiconductor for all x and y composition. Polynomial approximation is obtained for the energy gap as a function of the composition x and y. Electron and hole effective masses are also calculated along various symmetry axes for different compositions and the results agree fairly well with available experimental values.

GROWTH OF WIDE-BAND GAP IMMISCIBLE II-VI ALLOYS BY METALORGANIC VAPOR-PHASE EPITAXY

Although metalorganic vapor phase epitaxy (MOVPE) is generally regarded as a non-equillibrium process, it can be assumed that a chemical equilibrium is established at the vapor-solid interface in the diffusion limited region of growth rate. In this paper, an equilibrium model was proposed to calculate the relation between vapor and solid compositions for II-VI ternary alloys. Metastable alloys in the miscibility gap may not be obtained when the growth temperature is lower than the critical temperature of the system. The influence of growth temperature, reactor pressure, input VI/II ratio, and input composition of group VI reactants has been calculated for ZnSSe, ZnSeTe and ZnSTe. The results are compared with experimental data for the ZnSSe and ZnSTe systems.

PHOTOLUMINESCENCE INVESTIGATIONS OF CD1-XMNXTE UNDER HYDROSTATIC-PRESSURE

The photoluminescence of Cd1-xMnxTe with x=0.25, 0.40, and 0.60 is investigated at 77 K and different pressures. The pressure coefficients of the photoluminescence bands Cd0.75Mn0.25Te and Cd0.6Mn0.4Te are found to be positive and the magnitudes are about 8 X 10(-3) eV/kbar, which is in good agreement with the pressure coefficients of the interband transition. The pressure coefficient of the photoluminescence bands for Cd0.4Mn0.6Te is found to be -6 X 10(-3) eV/kbar, which is quite different from the pressure coefficient of the interband transition. The possible transition mechanism is discussed in terms of group theory and crystal field theory.

A NEW METHOD FOR MEASURING THE EFFECTIVE DIFFUSION CONSTANT OF 2-DIMENSIONAL ELECTRONS IN THE PRESENCE OF MAGNETIC-FIELDS

The transient charge response Q(t) of a two-dimensional electron gas (2DEG) in GaAs/AlxGa1-xAs heterostructures to a small pulse of the gate voltage, applied between the top gate and source electrodes in a Corbino structure, was employed to directly measure the effective diffusion constant of a 2DEG in the quantum Hall regime. The measured diffusion constant D showed a drastic change as the magnetic field was swept through the integer fillings of the Landau levels.

RESONANT TUNNELING, EIGENVALUE AND ENERGY-BAND CALCULATION FOR POTENTIAL AND PERIODIC POTENTIAL STRUCTURES

Recursion formulae for the reflection and the transmission probability amplitudes and the eigenvalue equation for multistep potential structures are derived. Using the recursion relations, a dispersion equation for periodic potential structures is presented. Some numerical results for the transmission probability of a double barrier structure with scattering centers, the lifetime of the quasi-bound state in a single quantum well with an applied field, and the miniband of a periodic potential structure are presented.

POLARIZATION OF HOT PHOTOLUMINESCENCE IN QUANTUM-WELLS AND HEAVY-LIGHT HOLE MIXING

Hot electrons excited from the valence band by linearly polarized laser light are characterized by certain angular distributions in momenta. Owing to such angular distributions in momenta, the photoluminescence from the hot electrons shows a certain degree of polarization. A theoretical treatment of this effect observed in the photoluminescence in quantum wells is given, showing that the effect depends strongly on heavy and light hole mixing. The very large disparity between the experimentally observed and theoretically expected values of the degree of polarization in the hot-electron photoluminescence suggests the presence of random quasielastic scattering. The effects of such additional scattering and the presence of a perpendicular magnetic field are incorporated into the theory. it is shown that the measurements of the degree of polarization observed in the hot electron photoluminescence, with and without an applied perpendicular magnetic field can serve to determine the time constants for both LO-phonon inelastic and random quasielastic scattering. As an example, these time constants are determined for the experiments reported in the literature.

1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES FOR BAND STRUCTURES OF SI AND GAAS

We have applied the Green function theory in GW approximation to calculate the quasiparticle energies for semiconductors Si and GaAs. Good agreements of the calculated excitation energies and fundamental energy gaps with the experimental band structures were achieved. We obtained the calculated fundamental gaps of Si and GaAs to be 1.22 and 1.42 eV in comparison to the experimental values of 1.17 and 1.52 eV, respectively. Ab initio pseudopotential method has been used to generate basis wavefunctions and charge densities for calculating dielectric matrix elements and electron self-energies.

BAND DISPERSION IN THE RECURSION METHOD

The advantages of the supercell model in employing the recursion method are discussed in comparison with the cluster model. A transformation for changing complex Bloch-sum seed states to real seed states in recursion calculations is presented and band dispersion in the recursion method is extracted with use of the Lanczos algorithm. The method is illustrated by the band structure of GaAs in the empirical tight-binding parametrized model. In the supercell model, the treatment of boundary conditions is discussed for various seed-state choices. The method is useful in applying tight-binding techniques to systems with substantial deviations from periodicity.