Electronic states in InAs quantum spheres and ellipsoids

The eight-band effective-mass Hamiltonian of the free-standing narrow-gap InAs quantum ellipsoids is developed, and the electron and hole electronic structures as well as optical properties are calculated by using the model. The energies, wave functions and transition probabilities of quantum spheres as functions of the radius of quantum sphere R is presented. It is found that the energy levels do not vary as 1/R-2, which is caused by the coupling between the conduction and valence bands, and by the constant terms correspond to the spin-orbit splitting energy. The blueshifts of hole states depend strongly on the coupling from electron states, so that the order of hole states changes as has been predicted in experiment. The exciton binding energies are calculated, the calculated excitonic gaps as functions of the ground exciton transition energy are in good agreement with the photoluminescence measured spectra in details. Finally, the hole energy levels and the linear polarization factors in InAs quantum ellipsoids as functions of the aspect ratio are presented. The state 1S(Z up arrow)((1/2)) becomes the hole ground state when e is larger than 2.4. The saturation value of the linear polarization factors of the InAs long ellipsoids of diameter 2.0 nm is 0.86, in agreement with the experimental results.

Aluminium doping induced enhancement of p-d coupling in ZnO

Valence-band type Auger lines in Al doped and undoped ZnO were comparatively studied with the corresponding core level x-ray photoelectron spectrography (XPS) spectra as references. Then the shift trend of energy levels in the valence band was that p and p-s-d states move upwards but e and p-d states downwards with increasing Al concentration. The decreased energy of the Zn 3d state is larger than the increased energy of the 0 2p state, indicating the lowering of total energy. This may indicate that Al doping could induce the enhancement of p-d coupling in ZnO, which originates from stronger Al-O hybridization. The shifts of these states and the mechanism were confirmed by valence band XPS spectra and 0 K-edge x-ray absorption spectrography (XAS) spectra. Finally, some previously reported phenomena are explained based on the Al doping induced enhancement of p-d coupling.

Rashba spin splitting in biased semiconductor quantum wells

Rashba spin splitting (RSS) in biased semiconductor quantum wells is investigated theoretically based on eight-band k center dot p theory. We find that at large wave vectors, RSS is both nonmonotonic and anisotropic as a function of in-plane wave vector, in contrast to the widely used isotropic linear model. We derive an analytical expression for RSS, which can qualitatively reproduce such nonmonotonic behavior at large wave vectors. We also investigate numerically the dependence of RSS on the various band parameters and find that RSS increases with decreasing band gap and subband index, increasing valence band offset, external electric field, and well width. All these dependences can be qualitatively described by our analytical model.

Deep level transient spectroscopy studies of Er and Pr implanted GaN films

Deep level transient spectroscopy measurements were used to characterize the electrical properties of metal organic chemical vapor deposition grown undoped, Er-implanted and Pr-implanted GaN films. Only one deep level located at 0.270 eV below the conduction band was found in the as-grown GaN films. But four defect levels located at 0.300 eV, 0.188 eV, 0.600 eV and 0.410 eV below the conduction band were found in the Er-implanted GaN films after annealing at 900 degrees C for 30 min, and four defect levels located at 0.280 eV, 0.190 eV, 0.610 eV and 0.390 eV below the conduction band were found in the Pr-implanted GaN films after annealing at 1050 degrees C for 30min. The origins of the deep defect levels are discussed. After annealing at 900 degrees C for 30min in a nitrogen flow, Er-related 1538nm luminescence peaks could be observed for the Er-implanted GaN sample. The energy-transfer and luminescence mechanism of the Er-implanted GaN film are described.

Comparison of valence band x-ray photoelectron spectrum between Al-N-codoped and N-doped ZnO films

The valence band structures of Al-N-codoped [ZnO:(Al, N)] and N-doped (ZnO:N) ZnO films were studied by normal and soft x-ray photoelectron spectroscopy. The valence-band maximum of ZnO:(Al, N) shifts up to Fermi energy level by about 300 meV compared with that of ZnO:N. Such a shift can be attributed to the existence of a kind of Al-N in ZnO:(Al, N), as supported by core level XPS spectra and comparison of modified Auger parameters. Al-N increased the relative quantity of Zn-N in ZnO:(Al, N), while N-N decreased that of Zn-N in ZnO:N. (c) 2006 American Institute of Physics.

Mutual passivation of donors and isovalent nitrogen in GaAs

We study the mutual passivation of shallow donor and isovalent N in GaAs. We find that all the donor impurities, Si-Ga, Ge-Ga, S-As, and Se-As, bind to N in GaAsN, which has a large N-induced band-gap reduction relative to GaAs. For a group-IV impurity such as Si, the formation of the nearest-neighbor Si-Ga-N-As defect complex creates a deep donor level below the conduction band minimum (CBM). The coupling between this defect level with the CBM pushes the CBM upwards, thus restoring the GaAs band gap; the lowering of the defect level relative to the isolated Si-Ga shallow donor level is responsible for the increased electrical resistivity. Therefore, Si and N mutually passivate each other's electrical and optical activities in GaAs. For a group-VI shallow donor such as S, the binding between S-As and N-As does not form a direct bond; therefore, no mutual passivation exists in the GaAs(S+N) system.

Origin and elimination of spurious solutions of the eight-band k center dot p theory

The origin of spurious solutions in the eight-band envelope function model is examined and it is shown that spurious solutions arise from the additional spurious degeneracies caused by the unphysical bowing of the conduction bands calculated within the eight-band k center dot p model. We propose two approaches to eliminate these spurious solutions. Using the first approach, the wave vector cutoff method, we demonstrate the origin and elimination of spurious solutions in a transparent way without modifying the original Hamiltonian. Through the second approach, we introduce some freedom in modifying the Hamiltonian. The comparison between the results from the various modified Hamiltonians suggests that the wave vector cutoff method can give accurate enough description to the final results.

Electronic properties of sulfur passivated undoped-n(+) type GaAs surface studied by photoreflectance

Photoreflectance (PR) has been used to study surface electronic properties (electric field, Fermi level pinning, and density of surface states) of undoped-n(+) (UN+) GaAs treated in the solution of ammonium sulfide in isopropanol. Complex Fourier transformation (CFT) of PR spectra from passivated surface shows that the sulfur overlay on GaAs surface makes no contribution to Franz-Keldysh oscillations (FKOs). The barrier height measured by PR is derived from surface states directly, rather than the total barrier height, which includes the potentials derived from Ga-S and As-S dipole layers. Comparing with native oxidated surface, the passivation leads to 80 meV movement of surface Fermi level towards the conduction band minimum, and reduction by more than one order in density of surface states. (C) 2003 Elsevier Science B.V. All rights reserved.

Spin-polarized current produced by a double barrier resonant tunneling diode

The spin-polarized tunneling current through a double barrier resonant tunneling diode (RTD) made with a semimagnetic semiconductor is studied theoretically. The calculated spin-polarized current and polarization degree are in agreement with recent experimental results. It is predicted that the polarization degree can be modulated continuously from + 1 to - 1 by changing the external voltage such that the quasi-confined spin-up and spin-down energy levels shift downwards from the Fermi level to the bottom of the conduction band. The RTD with low potential barrier or the tunneling through the second quasi-confined state produces larger spin-polarized current. Furthermore a higher magnetic field enhances the polarization degree of the tunneling current. (C) 2003 Elsevier Ltd. All rights reserved.

Theoretical analysis of characteristics of GaxIn1-xNyAs1-y/GaAs quantum well lasers with different intermediate layers

Based on the band anticrossing model, the effects of the strain-compensated layer and the strain-mediated layer on the band structure, gain and differential gain of GaInNAs/GaAs quantum well lasers have been investigated. The results show that the GaNAs barrier has a disadvantage in increasing the density of states in the conduction band. Meanwhile, the multilayer quantum wells need higher transparency carrier density than the GaInNAs/GaAs single quantum well with the same wavelength. However, they help to suppress the degradation of the differential gain. The calculation also shows that from the viewpoint of band structure, the strain-compensated structure and the strain-mediated structure have similar features.

Study on variable capacitance diode of (p)nc-Si : H/(n)c-Si heterojunction

Hydrogenated nanocrystalline silicon (nc-Si:H) layers of boron-doped increasing step by step was deposited on n-type crystalline silicon substrate using Plasma Enhanced Chemical Vapor Deposition (PECVD) system. After evaporating Ohm contact electrode on the side of substrate and on the side of nc-Si:H film, a structure of electrode/ (p)nc-Si:H/(n)c-Si/electrode was obtained. It is confirmed by electrical measurement such as I-V curve, C-V curve and DLTS that this is a variable capacitance diode. (C) 2003 Elsevier Science Ltd. All rights reserved.

Green-light-emitting ZnSe nanowires fabricated via vapor phase growth

Stoichiometric ZnSe nanowires have been synthesized through a vapor phase reaction of zinc and selenium powder on the (100) silicon substrate coated with a gold film of 2 nm in thickness. The microstructures and the chemical compositions of the as-grown nanowires have been investigated by means of electron microscopy, the energy dispersive spectroscopy, and Raman spectroscopy. The results reveal that the as-grown materials consist of ZnSe nanowires with diameters ranging from 5 to 50 nm. Photoluminescence of the sample demonstrates a strong green emission from room temperature down to 10 K. This is attributed to the recombination of electrons from conduction band to the medium deep Au acceptors. (C) 2003 American Institute of Physics.

Electron ground state energy level determination of ZnSe self-organized quantum dots embedded in ZnS

Optical and electrical characterization of the ZnS self-organized quantum dots (QDs) embedded in ZnS by molecular beam epitaxy have been investigated using photoluminescence (PL), capacitance-voltage (C-V), and deep level transient Fourier spectroscopy (DLTFS) techniques. The temperature dependence of the free exciton emission was employed to clarify the mechanism of the PL thermal quenching processes in the ZnSe QDs. The PL experimental data are well explained by a two-step quenching process. The C-V and DLTFS techniques were used to obtain the quantitative information on the electron thermal emission from the ZnSe QDs. The correlation between the measured electron emission from the ZnSe QDs in the DLTFS and the observed electron accumulation in the C-V measurements was clearly demonstrated. The emission energy for the ground state of the ZnSe QDs was determined to be at about 120 meV below the conduction band edge of the ZnS barrier, which is in good agreement with the thermal activation energy, 130 meV, obtained by fitting the thermal quenching process of the free exciton PL peak. (C) 2003 American Institute of Physics.

Study on the reverse characteristics of Ti/6H-SiC Schottky contacts

The reverse I(V) measurement and analytic calculation of the electron transport across a Ti/6H-SiC Schottky barrier are presented. Based on the consideration of the barrier fluctuations and the barrier height shift caused by image charge and the applied voltage drop across Ti/SiC interfical layer, a comprehensive analytical model for the reverse tunneling current is developed using a WKB calculation of the tunneling probability through a reverse biased Schottky barrier. This model takes into account the main reverse conduction mechanism, such as field emission, thermionic field emission and thermionic emission. The fact that the simulated results are in good agreement with the experimental data indicates that the barrier height shift and barrier fluctuation can lead to reverse current densities orders of magnitude higher than that obtained from a simple theory. It is shown that the field and thermionic field emission processes, in which carries can tunnel through the barrier but cannot surmount it with insufficient thermal energy, dominate the reverse characteristics of a SiC Schottky contacts in a normal working condition.

A partially incoherent rate theory of long-range charge transfer in deoxyribose nucleic acid

A quantum chemistry based Green's function formulation of long-range charge transfer in deoxyribose nucleic acid (DNA) double helix is proposed. The theory takes into account the effects of DNA's electronic structure and its incoherent interaction with aqueous surroundings. In the implementation, the electronic tight-binding parameters for unsolvated DNA molecules are determined at the HF/6-31G* level, while those for individual nucleobase-water couplings are at a semiempirical level by fitting with experimental redox potentials. Numerical results include that: (i) the oxidative charge initially at the donor guanine site does hop sequentially over all guanine sites; however, the revealed rates can be of a much weaker distance dependence than that described by the ordinary Ohm's law; (ii) the aqueous surroundings-induced partial incoherences in thymine/adenine bridge bases lead them to deviate substantially from the superexchange regime; (iii) the time scale of the partially incoherent hole transport through the thymine/adenine pi stack in DNA is about 5 ps. (C) 2002 American Institute of Physics.