Strong Spin-Orbit Interactions in an InAlAs/InGaAs/InAlAs Two-Dimensional Electron Gas by Weak Antilocalization Analysis

Spin-orbit interactions in a two-dimensional electron gas were studied in an InAlAs/InGaAs/InAlAs quantum well. Since weak anti localization effects take place far beyond the diffusive regime, (i.e., the ratio of the characteristic magnetic field, at which the magnetoresistance correction maximum occurs, to the transport magnetic field is more than ten) the experimental data are examined by the Golub theory, which is applicable to both diffusive regime and ballistic regime. Satisfactory fitting lines to the experimental data have been achieved using the Golub theory. In the strong spin-orbit interaction two-dimensional electron gas system, the large spin splitting energy of 6.08 meV is observed mainly due to the high electron concentration in the quantum well. The temperature dependence of the phase-breaking rate is qualitatively in agreement with the theoretical predictions. (C) 2009 The Japan Society of Applied Physics

The bipolar doping of ZnS via native defects and external dopants

By employing first-principle total-energy calculations, a systematic study of the dopability of ZnS to be both n- and p-types compared with that of ZnO is carried out. We find that all the attempted acceptor dopants, group V substituting on the S lattice site and group I and IB on the Zn sites in ZnS, have lower ionization energies than the corresponding ones in ZnO. This can be accounted for by the fact that ZnS has relative higher valence band maximum than ZnO. Native ZnS is weak p-type under S-rich condition, as the abundant acceptor V-Zn has rather large ionization energy. Self-compensations by the formation of interstitial donors in group I and IB-doped p-type ZnS can be avoided when sample is prepared under S-rich condition. In terms of ionization energies, Li-Zn and N-S are the preferred acceptors in ZnS. Native n- type doping of ZnS is limited by the spontaneous formation of intrinsic V-Zn(2-); high efficient n-type doping with dopants is harder to achieve than in ZnO because of the readiness of forming native compensating centers and higher ionization energy of donors in ZnS. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3103585]

Fabrication and modulation characteristics of 1.3 mu m p-doped InAs quantum dot vertical cavity surface emitting lasers

We present the fabrication of 1.3 mu m waveband p-doped InAs quantum dot (QD) vertical cavity surface emitting lasers (VCSELs) with an extremely simple process. The continuous-wave saturated output power of 1.1 mW with a lasing wavelength of 1280 nm is obtained at room temperature. The high-speed modulation characteristics of p-doped QD VCSELs of two different oxide aperture sizes are investigated and compared. The maximum 3 dB modulation bandwidth of 2.5 GHz can be achieved at a bias current of 7 mA for a p-doped QD VCSEL with an oxide aperture size of 10 mu m in the small signal frequency response measurements. The crucial factors for the 3 dB bandwidth limitation are discussed according to the parameters' extraction from frequency response.

Design of Narrow-Gap TiO2: A Passivated Codoping Approach for Enhanced Photoelectrochemical Activity

To improve the photoelectrochemical activity of TiO2 for hydrogen production through water splitting, the band edges of TiO2 should be tailored to match with visible light absorption and the hydrogen or oxygen production levels. By analyzing the band structure of TiO2 and the chemical potentials of the dopants, we propose that the band edges of TiO2 can be modified by passivated codopants such as (Mo+C) to shift the valence band edge up significantly, while leaving the conduction band edge almost unchanged, thus satisfying the stringent requirements. The design principle for the band-edge modification should be applicable to other wide-band-gap semiconductors.

Controlling electronic structures by irradiation in single-walled SiC nanotubes: a first-principles molecular dynamics study

Using first-principles molecular dynamics simulations, the displacement threshold energy and defect configurations are determined in SiC nanotubes. The simulation results reveal that a rich variety of defect structures (vacancies, Stone-Wales defects and antisite defects) are formed with threshold energies from 11 to 64 eV. The threshold energy shows an anisotropic behavior and exhibits a dramatic decrease with decreasing tube diameter. The electronic structure can be altered by the defects formed by irradiation, which suggests that the electron irradiation may be a way to use defect engineering to tailor electronic properties of SiC nanotubes.

Strain relaxation and band-gap tunability in ternary InxGa1-xN nanowires

The alloy formation enthalpy and band structure of InGaN nanowires were studied by a combined approach of the valence-force field model, Monte Carlo simulation, and density-functional theory (DFT). For both random and ground-state structures of the coherent InGaN alloy, the nanowire configuration was found to be more favorable for the strain relaxation than the bulk alloy. We proposed an analytical formula for computing the band gap of any InGaN nanowires based on the results from the screened exchange hybrid DFT calculations, which in turn reveals a better band-gap tunability in ternary InGaN nanowires than the bulk alloy.

Origin and Enhancement of Hole-Induced Ferromagnetism in First-Row d(0) Semiconductors

The origin of ferromagnetism in d(0) semiconductors is studied using first-principles methods with ZnO as a prototype material. We show that the presence of spontaneous magnetization in nitrides and oxides with sufficient holes is an intrinsic property of these first-row d(0) semiconductors and can be attributed to the localized nature of the 2p states of O and N. We find that acceptor doping, especially doping at the anion site, can enhance the ferromagnetism with much smaller threshold hole concentrations. The quantum confinement effect also reduces the critical hole concentration to induce ferromagnetism in ZnO nanowires. The characteristic nonmonotonic spin couplings in these systems are explained in terms of the band coupling model.

Effect of beta-irradiation on photoluminescence of MOCVD grown GaN

The effect of beta particles interaction on the optical properties of MOCVD grown GaN is reported. A significant change in luminescence properties of GaN is observed after exposing the material with 0.6 MeV beta particles with low dose of 10(12) cm(-2). The results obtained from photoluminescence measurements of irradiated GaN samples in low dose are found contradictory to those reported in literature for samples irradiated with heavy dose (> 10(15) cm(-2)) of electron. An increase in intensity of yellow luminescence has been observed with increasing dose of beta particles which is in disagreement to the already reported results in literature for heavily irradiated samples. A model has been proposed to sort out this inconsistency. The increase in YL intensity at low dose is attributed to the increase in concentration of VGaON complex whereas production of non-radiative VGaON clusters is assumed to justify the decrease in YL intensity at high dose.

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.

Design of shallow acceptors in ZnO through compensated donor-acceptor complexes: A density functional calculation

The intrinsic large electronegativity of O 2p character of the valence-band maximum (VBM) of ZnO renders it extremely difficult to be doped p type. We show from density functional calculation that such VBM characteristic can be altered by compensated donor-acceptor pairs, thus improve the p-type dopability. By incorporating (Ti+C) or (Zr+C) into ZnO simultaneously, a fully occupied impurity band that has the C 2p character is created above the VBM of host ZnO. Subsequent doping by N in ZnO: (Ti+C) and ZnO: (Zr+C) lead to the acceptor ionization energies of 0.18 and 0.13 eV, respectively, which is about 200 meV lower than it is in pure ZnO.

Structure and Electronic Properties of Saturated and Unsaturated Gallium Nitride Nanotubes

The atomic and electronic structures of saturated and unsaturated GaN nanotubes along the [001] direction with (100) lateral facets are studied using first-principles calculations. Atomic relaxation of nanotubes shows that appreciable distortion occurs in the unsaturated nanotubes. All the nanotubes considered, including saturated and unsaturated ones, exhibit semiconducting, with a direct band gap Surface states arisen from the 3-fold-coordinated N and Ga atoms at the lateral facets exist inside the bulklike band gap. When the nanotubes are saturated with hydrogen, these dangling bond bands are removed from the band gap, but the band gap decreases with increasing the wall thickness of the nanotubes.

Optimization of VI/II pressure ratio in ZnTe growth on GaAs(001) by molecular beam epitaxy

ZnTe epilayers were grown on GaAs(0 0 1) substrates by molecular beam epitaxy (MBE) at different VI/II beam equivalent pressure (BEP) ratios (R-VI/II) in a wide range of 0.96-11 with constant Zn flux. Based on in situ reflection high-energy electron diffraction (RHEED) observation, two-dimensional (2D) growth mode can be formed by increasing the R-VI/II to 2.8. The Te/Zn pressure ratios lower than 4.0 correspond to Zn-rich growth state, while the ratios over 6.4 correspond to Te-rich one. The Zn sticking coefficient at various VI/II ratios are derived by the growth rate measurement. The ZnTe epilayer grown at a R-VI/II of 6.4 displays the narrowest full-width at half-maximum (FWHM) of double-crystal X-ray rocking curve (DCXRC) for (0 0 4) reflection. Atomic force microscopy (AFM) characterization shows that the grain size enlarges drastically with the R-VI/II. The surface root-mean-square (RMS) roughness decreases firstly, attains a minimum of 1.14 nm at a R-VI/II of 4.0 and then increases at higher ratios. It is suggested that the most suitable R-VI/II be controlled between 4.0 and 6.4 in order to grow high-quality ZnTe epitaxial thin films.

Room-Temperature Ferromagnetism in Co-Doped In2O3 Nanocrystals

Co-doped In2O3 nanocrystals showing room-temperature ferromagnetism have been successfully prepared by a simple sol-gel synthesis route. The sample displays it clear ferromagnetism behavior above 300 K. Phase and structure analyses reveal that the nanocrystals are crystallized with Co ions substituted for In ions in the In2O3 matrix, and no trace of secondary phases or clusters is detected. The experimental results are explained theoretically by first-principles calculations based on density functional theory, which indicate that the native ferromagnetic behavior of Co-doped In2O3 could be mainly ascribed to the strong d-d coupling of the magnetic ions.

First principles study of N-N split interstitial in GaN nanowires

Atomic and electronic properties of N-N split interstitial in GaN nanowires have been investigated using first principles calculations. The formation energy calculations show that the N-N interstitial favors substituting an N atom at the surface of the nanowires. The interstitial induces localized states in the band gap of GaN nanowires.

Band crossing in isovalent semiconductor alloys with large size mismatch: First-principles calculations of the electronic structure of Bi and N incorporated GaAs

For large size- and chemical-mismatched isovalent semiconductor alloys, such as N and Bi substitution on As sites in GaAs, isovalent defect levels or defect bands are introduced. The evolution of the defect states as a function of the alloy concentration is usually described by the popular phenomenological band anticrossing (BAC) model. Using first-principles band-structure calculations we show that at the impurity limit the N-(Bi)-induced impurity level is above (below) the conduction- (valence-) band edge of GaAs. These trends reverse at high concentration, i.e., the conduction-band edge of GaAs1-xNx becomes an N-derived state and the valence-band edge of GaAs1-xBix becomes a Bi-derived state, as expected from their band characters. We show that this band crossing phenomenon cannot be described by the popular BAC model but can be naturally explained by a simple band broadening picture.