Standing electron plasma wave mechanism of void array formation inside glass by femtosecond laser irradiation

We investigate the mechanism of formation of periodic void arrays inside fused silica and BK7 glass irradiated by a tightly focused femtosecond (fs) laser beam. Our results show that the period of each void array is not uniform along the laser propagation direction, and the average period of the void array decreases with increasing pulse number and pulse energy. We propose a mechanism in which a standing electron plasma wave created by the interference of a fs-laser-driven electron wave and its reflected wave is responsible for the formation of the periodic void arrays.

Role of the evanescent states in the electron transport in quantum waveguides

Recognizing the computational difficulty due to the exponential behavior of the evanescent states in the calculations of the electron transmission in waveguide structures, the authors propose two transfer matrix methods and apply them to investigate the influence of the evanescent states on the electron wave propagation. The study shows that the effect of the evanescent states on the electron transport is obvious when the electron energy is close to the subband minima. The results show that the calculated transmissions are much enhanced if the evanescent states are omitted in the calculations. For the multiple-stub structures, it is found that the connecting channel length has a critical effect on the electron transmission depending on it larger or smaller than the attenuation lengths of evanescent states. Based on the study of the evanescent states, a new kind of waveguide structures which exhibit quantum modulated transistor action is proposed. (C) 1997 American Institute of Physics.

MALTS: A Tool to Simulate Lorentz Transmission Electron Microscopy From Micromagnetic Simulations

Here we describe the development of the MALTS software which is a generalized tool that simulates Lorentz Transmission Electron Microscopy (LTEM) contrast of magnetic nanostructures. Complex magnetic nanostructures typically have multiple stable domain structures. MALTS works in conjunction with the open access micromagnetic software Object Oriented Micromagnetic Framework or MuMax. Magnetically stable trial magnetization states of the object of interest are input into MALTS and simulated LTEM images are output. MALTS computes the magnetic and electric phases accrued by the transmitted electrons via the Aharonov-Bohm expressions. Transfer and envelope functions are used to simulate the progression of the electron wave through the microscope lenses. The final contrast image due to these effects is determined by Fourier Optics. Similar approaches have been used previously for simulations of specific cases of LTEM contrast. The novelty here is the integration with micromagnetic codes via a simple user interface enabling the computation of the contrast from any structure. The output from MALTS is in good agreement with both experimental data and published LTEM simulations. A widely-available generalized code for the analysis of Lorentz contrast is a much needed step towards the use of LTEM as a standardized laboratory technique.

A computational study of Compton profiles of water - methanol solutions

The molecular level structure of mixtures of water and alcohols is very complicated and has been under intense research in the recent past. Both experimental and computational methods have been used in the studies. One method for studying the intra- and intermolecular bindings in the mixtures is the use of the so called difference Compton profiles, which are a way to obtain information about changes in the electron wave functions. In the process of Compton scattering a photon scatters inelastically from an electron. The Compton profile that is obtained from the electron wave functions is directly proportional to the probability of photon scattering at a given energy to a given solid angle. In this work we develop a method to compute Compton profiles numerically for mixtures of liquids. In order to obtain the electronic wave functions necessary to calculate the Compton profiles we need some statistical information about atomic coordinates. Acquiring this using ab-initio molecular dynamics is beyond our computational capabilities and therefore we use classical molecular dynamics to model the movement of atoms in the mixture. We discuss the validity of the chosen method in view of the results obtained from the simulations. There are some difficulties in using classical molecular dynamics for the quantum mechanical calculations, but these can possibly be overcome by parameter tuning. According to the calculations clear differences can be seen in the Compton profiles of different mixtures. This prediction needs to be tested in experiments in order to find out whether the approximations made are valid.

Nature of trapped particle instability

The amplification mechanism for the side bands which accompany a large amplitude electron wave on a plasma column are shown to arise due to two mode interaction between negative and positive energy waves.

Theoretical analysis of gate voltage-controlled subband states in an AlxGa1-xN/GaN heterostructure

The subband structure and inter-subband transition as a function of gate voltage are determined by solving the Schrodinger and Poisson equations self-consistently in an AlxGa1-xN/GaN heterostructure. Different aluminum mole fraction and thickness of AlxGa1-xN barrier are considered. Calculation results show that energy difference between the first and second subband covers a wide range (from several tens to hundreds milli-electron volt) by applying different gate voltage, which corresponds to the midinfrared and long-wave infrared wavelength scope. Furthermore, such a modulation on the subband transition energy is much more pronounced for the structure with thin barrier. When the applied positive gate voltage is increased, the triangle well formed at the interface turns to be deeper and narrower, which enhances the confinement for electrons. As a result, the overlap between electron wave function at two subbands increases, and thus the optical intersubband transition also enhances its intensity. This tendency is in good agreement with the available data in the literature. (c) 2005 Elsevier B.V. All rights reserved.

Photoluminescence pressure coefficients of InAs/GaAs quantum dots

We have investigated the ground exciton energy pressure coefficients of self-assembled InAs/GaAs quantum dots by calculating 21 systems with different quantum dot shape, size, and alloying profile using the atomistic empirical pseudopotential method. Our results confirm the experimentally observed significant reductions of the exciton energy pressure coefficients from the bulk values. We show that the nonlinear pressure coefficients of the bulk InAs and GaAs are responsible for these reductions, and the percentage of the electron wave function on top of GaAs atoms is responsible for the variation of this reduction. We also find a pressure coefficient versus exciton energy relationship which agrees quantitatively with the experimental results. We find linear relationships which can be used to get the information of the electron wave functions from exciton energy pressure coefficient measurements.

Effect of spontaneous and piezoelectric polarization on intersubband transition in AlxGa1-xN-GaN quantum well

A self-consistent solution of conduction band profile and subband energies for AlxGa1-xN-GaN quantum well is presented by solving the Schrodinger and Poisson equations. A new method is introduced to deal with the accumulation of the immobile charges at the AlxGa1-xN-GaN interface caused by spontaneous and piezoelectric polarization in the process of solving the Poisson equation. The effect of spontaneous and piezoelectric polarization is taken into account in the calculation. It also includes the effect of exchange-correlation to the one electron potential on the Coulomb interaction. Our analysis is based on the one electron effective-mass approximation and charge conservation condition. Based on this model, the electron wave functions and the conduction band structure are derived. We calculate the intersubband transition wavelength lambda(21) for different Al molar fraction of barrier and thickness of well. The calculated result can fit to the experimental data well. The dependence of the absorption coefficient a on the well width and the doping density is also investigated theoretically. (C) 2004 American Vacuum Society.

InxGa1-xAs/AlyGa1-yAs/AlzGa1-zAs asymmetric step quantum-well middle wavelength infrared detectors

InxGa1-xAs/AlyGa1-yAs/AlzGa1-zAs asymmetric step quantum-well middle wavelength (3-5 mum) infrared detectors are fabricated. The components display photovoltaic-type photocurrent response as well as the bias-controlled modulation of the peak wavelength of the main response, which is ascribed to the Stark shifts of the intersubband transitions from the local ground states to the extended first excited states in the quantum wells, at the 3-5.3 mum infrared atmospheric transmission window. The blackbody detectivity (D-bb*) of the detectors reaches to about 1.0x10(10) cm Hz(1/2)/W at 77 K under bias of +/-7 V. By expanding the electron wave function in terms of normalized plane wave basis within the framework of the effective-mass envelope-function theory, the linear Stark effects of the intersubband transitions between the ground and first excited states in the asymmetric step well are calculated. The obtained results agree well with the corresponding experimental measurements. (C) 2001 American Institute of Physics.

Oscillatory magneto-conductance in quantum waveguides with lateral multi-barrier structures

The magneto-transport properties of a narrow quantum waveguide with lateral multibarrier modulation are investigated theoretically. It is found that the magnetoconductance as a function of Fermi energy or magnetic field exhibits square-wave-like oscillations. In the presence of magnetic field, the edge states are formed near each barrier and the boundaries. Therefore, the number of edge states increases with the number of lateral barriers, leading to the increase of the propagating modes. On the other hand, owing to the tunneling effect a pair of edge states around the barrier region with opposite moving directions may be coupled and formed a circulating localized state, leading to the quenching of the related propagating states. The resulting dispersion relation exhibits oscillation structures superimposed on the bulk Landau levels. These novel conductance characteristics may provide potential applications to the fabrication of new quantum devices.

SCATTERING AND RESONANT-TUNNELING THEORY FOR A CYLINDRICAL WELL IN PLANAR STRUCTURES

A two-dimensional atomic scattering theory is developed for scattering of electrons by a circularly symmetric quantum structure in the two-dimensional electron gas. It is found that the scattering cross section oscillates as a function of ka where k is the electron wave vector and a is the radius of the cylindrical potential barrier. If there is a quantum well inside the potential barrier, there appears a series of sharp resonant-tunneling peaks superposed on the original scattering-cross-section curves. The width of the resonant-tunneling peak depends sensitively on the thickness, the height of the potential barrier, and the electron energy.

The scattering matrix method for quantum waveguides

A scattering matrix method for investigating the electron transport in quantum waveguides is presented. By dividing the structure into a number of transverse slices, the global scattering matrix is obtained by the composition of the individual scattering matrices associated with each interface. Complicated geometries and inhomogeneous external potentials are included in the formulation. It is shown that the proposed scattering matrix method possesses many advantages over the traditional mode-matching and transfer matrix methods, especially in treating the electron wave propagation in complicated geometries. Justification for the method is provided by the unitarity of the calculated scattering matrix, and the consistency of the results with those obtained by the recursive Green's function method.

Numerical simulation of quantum directional couplers

A numerical analysis of a quantum directional coupler based on Pi-shaped electron waveguides is presented with use of the scattering-matrix method. After the optimization of the device parameters, uniform output for the two output ports and high directivity are obtained within a wide range of the electron momenta. The electron transfer in the device is found more efficient than that in the previously proposed structures. The study of the shape-dependence of transmission for the device shows that the device structure with smooth boundaries exhibits a much better performance.

Quantum wire with periodic serial structure

Electron wave motion in a quantum wire with periodic structure is treated by direct solution of the Schrödinger equation as a mode-matching problem. Our method is particularly useful for a wire consisting of several distinct units, where the total transfer matrix for wave propagation is just the product of those for its basic units. It is generally applicable to any linearly connected serial device, and it can be implemented on a small computer. The one-dimensional mesoscopic crystal recently considered by Ulloa, Castaño, and Kirczenow [Phys. Rev. B 41, 12 350 (1990)] is discussed with our method, and is shown to be a strictly one-dimensional problem. Electron motion in the multiple-stub T-shaped potential well considered by Sols et al. [J. Appl. Phys. 66, 3892 (1989)] is also treated. A structure combining features of both of these is investigated

Theoretical study of band alignment in nano-porous ZnO interacting with substituted Phthalocyanines

The aim of this work is the theoretical study of the band alignment between the two components of a hybrid organic-inorganic solar-cell. The working organic molecules are metal tetra-sulphonated phthalocyanines (M-Pc) and the inorganic material is nano-porous ZnO growth in the 001 direction. The theoretical calculations are being made using the density functional theory (DFT) using a GGA functional with the SIESTA code, which projects electron wave functions and density onto a real space grid and uses as basis set a linear combination of numerical, finite-range localized atomic orbitals. We also used the DFT+U method included in the code that allows a semi-empirical inclusion of electronic correlations in the description of electronic spectra for systems such as zinc oxide.