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.

Effects of Sb, N, and period on the electronic properties of GaAs/GaInNAsSb superlattices

We have calculated the bond distributions and atom positions of GaAs/GalnNAsSb superlattices using Keating's semiempirical valence force field (VFF) model and Monte Carlo simulation. The electronic structures of the superlattices are calculated using folded spectrum method (FSM) combined with an empirical pseudopotential (EP) proposed by Williamson et al.. The effects of N and Sb on superlattice energy levels are discussed. We find that the deterioration of the optical properties induced by N can be explained by the localization of the conduction-band states around the N atom. The electron and hole effective masses of the superlattices are calculated and compared with the effective masses of the bulk GaAs and GaInAs.

The fabrication and properties of InAs/GaAs columnal islands

A columnal islands system, which was composed of three layers of self-assembled InAs/GaAs quantum dots (QDs), has been fabricated by solid-source molecular beam epitaxy (MBE) through S-K mode on a (100) semi-insulating GaAs substrate. The effects of the thickness of GaAs space layer, the growth interruption time and the amount of InAs deposition on the emission wavelength of columnal islands were presented. The image of atomic force microscopy (AFM) indicated the columnal islands with high uniformity in size and shape. At room temperature, the emission wavelength of columnal islands with different effective heights was achieved 1.32 and 1.4 mum; however, the emission wavelength of single-layer QDs with normal height was just 1. l mum. It provides a useful and intuitive approach to artificially control the emission wavelength of a QD material system.

Electronic properties of GaAs/GayIn1-yNxAs1-y-xSby superlattices

Using Keating's semiempirical valence force field model and Monte Carlo simulation, we calculate the bond distributions and atom positions of GaAs/GaInNAsSb superlattices. The electronic structures of the superlattices are calculated using the folded spectrum method combined with an empirical pseudopotential proposed by Williamson The effects of N and Sb on superlattice energy levels are discussed. The deterioration of the optical properties induced by N is explained by the localization of the conduction-band states around the N atom. The electron and hole effective masses of the superlattices are calculated and compared with the effective masses of the GaAs and GaInAs.

Effects of shape and magnetic field on the optical properties of wurtzite quantum rods

The optical properties of quantum rods in the absence and presence of the magnetic field are studied in the framework of effective-mass envelope function theory. The two-dimensional (2D) and 1D transition dipoles of wurtzite quantum rods are investigated. It is found that the transition dipoles change from 2D to 1D as the aspect ratio of the ellipsoid increases, in agreement with the experimental results. The linear polarization factors of optical transitions of quantum rods with critical aspect ratio are zero at every orientation of the wave propagation. So quantum rods with critical aspect ratio have isotropic transition dipoles. Due to the 2D or 1D transition dipoles, the linear polarization factors of optical transitions of quantum rods change from negative or positive values to zero as the orientation of the wave propagation changes from the x axis of the crystal structure to the z axis, in agreement with the experimental results. Under magnetic field applied along the z axis of the crystal structure, the negative linear polarization factors in the 2D transition dipole case decrease as the magnetic field increases, while under magnetic field applied along the x axis, the negative linear polarization factors increase as the magnetic field increases. The antisymmetric Hamiltonian is very important to these effects of the magnetic field. It is found that quantum rods with a given radius at a given temperature have dark excitons in a range of aspect ratio. The dimensions along the x, y axes of the crystal structure play opposite roles to the dimension along the z axis on the dark exciton phenomenon. Dark excitons become bright under appropriate magnetic field.

Effects of magnetic field on the electronic structure of wurtzite quantum dots: Calculations using effective-mass envelope function theory

The Hamiltonian of the wurtzite quantum dots in the presence of an external homogeneous magnetic field is given. The electronic structure and optical properties are studied in the framework of effective-mass envelope function theory. The energy levels have new characteristics, such as parabolic property, antisymmtric splitting, and so on, different from the Zeeman splitting. With the crystal field splitting energy Delta(c)=25 meV, the dark excitons appear when the radius is smaller than 25.85 A in the absence of external magnetic field. This result is more consistent with the experimental results reported by Efros [Phys. Rev. B 54, 4843 (1996)]. It is found that dark excitons become bright under appropriate magnetic field depending on the radius of dots. The circular polarization factors of the optical transitions of randomly oriented dots are zero in the absence of external magnetic field and increase with the increase of magnetic field, in agreement with the experimental results. The circular polarization factors of single dots change from nearly 0 to about 1 as the orientation of the magnetic field changes from the x axis of the crystal structure to the z axis, which can be used to determine the orientation of the z axis of the crystal structure of individual dots. The antisymmetric Hamiltonian is very important to the effects of magnetic field on the circular polarization of the optical transition of quantum dots.

Improved field emission properties from metal-coated diamond films

Diamond films were prepared by microwave plasma chemical vapor deposition (MWPCVD). In order to obtain better field emission properties, the samples coated with different metals were prepared. The results showed that the field emission properties of diamond coated with metals could be greatly improved in comparison to pure diamond film and the different kinds of coated metals have different influences on the field emission properties. The possible reasons of effects on the field emission properties are discussed, which were probably due to the reduced effective surface work function by metal coatings; but the detail of the mechanism should be studied further. The surface morphology and microstructure of the sample were characterized by Atomic Force Microscope (AFM), X-ray photoelectron spectroscopy (XPS), X-ray Diffraction (XRD) and Raman spectrum tests. (c) 2006 Elsevier B.V. All rights reserved.

Effective-mass theory for coupled quantum dots grown on (11N)-oriented substrates

The electronic structures of coupled quantum dots grown on (11N)-oriented substrates are studied in the framework of effective-mass envelope-function theory. The results show that the all-hole subbands have the smallest widths and the optical properties are best for the (113), (114), and (115) growth directions. Our theoretical results agree with the available experimental data. Our calculated results are useful for the application of coupled quantum dots in photoelectric devices.

Correlation between optical and electrical properties in In0.52Al0.48As/InxGa1-xAs metamorphic high-electron-mobility-transistor structures on GaAs substrates

4.2 K photoluminescence (PL) and 77 K standard Hall-effect measurements were performed for In0.52Al0.48As/InxGa1-xAs metamorphic high-electron-mobility-transistor (HEMT) structures grown on GaAs substrates with different indium contents in the InxGa1-xAs well or different Si delta-doping concentrations. It was found that electron concentrations increased with increasing PL intensity ratio of the "forbidden" transition (the second electron subband to the first heavy-hole subband) to the sum of the "allowed" transition (the first electron subband to the first heavy-hole subband) and the forbidden transition. And electron mobilities decreased with increasing product of the average full width at half maximum of allowed and forbidden transitions and the electron effective mass in the InxGa1-xAs quantum well. These results show that PL measurements are a good supplemental tool to Hall-effect measurements in optimization of the HEMT layer structure. (c) 2006 American Institute of Physics.

Optical properties and g factors of GaAs quantum rods

The Hamiltonian of the zinc-blende quantum rods in the framework of eight-band effective-mass approximation in the presence of external homogeneous magnetic field is given. The electronic structure, optical properties and electron g factors of GaAs quantum rods are investigated. We found that the electron g factors are very sensitively dependent on the dimensions of the quantum rods. As some of the three dimensions increase, the electron g factors decrease. The more the dimensions increase, the more the electron g factors decrease. The dimensions perpendicular to the direction of the magnetic field affect the electron g factors more than the other dimension. (c) 2006 Elsevier B.V. All rights reserved.

Electron g factors and optical properties of InAs quantum ellipsoids

The electronic structure, electron g factors and optical properties of InAs quantum ellipsoids are investigated, in the framework of the eight-band effective-mass approximation. It is found that the light-hole states come down in comparison with the heavy-hole states when the spheres are elongated, and become the lowest states of the valence band. Circularly polarized emissions under circularly polarized excitations may have opposite polarization factors to the exciting light. For InAs ellipsoids the length, which is smaller than 35 nm, is still in a strongly quantum-confined regime. The electron g factors of InAs spheres decrease with increasing radius, and are nearly 2 when the radius is very small. The quantization of the electron states quenches the orbital angular momentum of the states. Actually, as some of the three dimensions increase, the electron g factors decrease. As more dimensions increase, the g factors decrease more. The dimensions perpendicular to the direction of the magnetic field affect the g factors more than the other dimension. The magnetic field along the z axis of the crystal structure causes linearly polarized emissions in the spheres, which emit unpolarized light in the absence of magnetic field.

Optical properties of GaN wurtzite quantum wires

The electronic structure and optical properties of freestanding GaN wurtzite quantum wires are studied in the framework of six-band effective-mass envelope function theory. It is found that the electron states are either twofold or fourfold degenerate. There is a dark exciton effect when the radius R of GaN wurtzite quantum wires is in the range of [0.7, 10.9] nm. The linear polarization factors are calculated in three cases, the quantum confinement effect (finite long wire), the dielectric effect and both effects (infinitely long wire). It is found that the linear polarization factor of a finite long wire whose length is much less than the electromagnetic wavelength decreases as R increases, is very close to unity (0.979) at R = I nm, and changes from a positive value to a negative value around R = 4.1 nm. The linear polarization factor of the dielectric effect is 0.934, independent of radius, as long as the radius remains much less than the electromagnetic wavelength. The result for the two effects shows that the quantum confinement effect gives a correction to the dielectric effect result. It is found that the linear polarization factor of very long (treated approximately as infinitely long) quantum wires is in the range of [0.8, 1]. The linear polarization factors of the quantum confinement effect of CdSe wurtzite quantum wires are calculated for comparison. In the CdSe case, the linear polarization factor of R = I nm is 0.857, in agreement with the experimental results (Hu et al 2001 Science 292 2060). This value is much smaller than unity, unlike 0.979 in the GaN case, mainly due to the big spin-orbit splitting energy Delta(so) of CdSe material with wurtzite structure.

Electrical properties of B-doped polycrystalline silicon thin films prepared by rapid thermal chemical vapour deposition

In this paper, about 30 mu m thick B-doped polycrystalline silicon (poly-Si) thin films were deposited on quartz substrates, n-type single crystalline silicon wafers and p(++)-type poly-Si ribbons by a rapid thermal chemical vapour deposition system in a temperature range from 1000 to 1150 degrees C. Activation energy measurement and room temperature/temperature dependent Hall effect measurement were performed on the poly-Si thin films prepared on the former two kinds of substrates, respectively. It seems that the electrical properties of as-prepared poly-Si thin films could be qualitatively explained by Seto's grain boundary (GB) trapping theory although there is a big difference between our samples and Seto's in gain size and film thickness etc. The experimental results reconfirm that GB itself is a kind of most effective recombination center with trapping level near the midgap and trapping state density in the order of 1012 cm(-2) magnitude. Electron beam induced current measurements on the poly-Si thin films prepared on the poly-Si ribbons also show that severe recombination occurs at the positions of GBs. (c) 2005 Elsevier B.V All rights reserved.

Effects of electric field on the electronic structure and optical properties of quantum rods with wurtzite structure

The Hamiltonian of wurtzite quantum rods with an ellipsoidal boundary under electric field is given after a coordinate transformation. The electronic structure and optical properties are studied in the framework of the effective-mass envelope-function theory. The quantum-confined Stark effect is illustrated by studying the change of the electronic structures under electric field. The transition probabilities between the electron and hole states decrease sharply with the increase of the electric field. The polarization factor increases with the increase of the electric field. Effects of the electric field and the shape of the rods on the exciton effect are also investigated. The exciton binding energy decreases with the increase of both the electric field and the aspect ratio. In the end, considering the exciton binding energy, we calculated the band gap variation of size- and shape-controlled colloidal CdSe quantum rods, which is in good agreement with experimental results.

Stress and its effect on optical properties of GaN epilayers grown on Si(111), 6H-SiC(0001), and c-plane sapphire

The stress states in unintentionally doped GaN epilayers grown on Si(111), 6H-SiC(0001), and c-plane sapphire, and their effects on optical properties of GaN films were investigated by means of room-temperature confocal micro-Raman scattering and photoluminescence techniques. Relatively large tensile stress exists in GaN epilayers grown on Si and 6H-SiC while a small compressive stress appears in the film grown on sapphire. The latter indicates effective strain relaxation in the GaN buffer layer inserted in the GaN/sapphire sample, while the 50-nm-thick AlN buffer adopted in the GaN/Si sample remains highly strained. The analysis shows that the thermal mismatch between the epilayers and the substrates plays a major role in determining the residual strain in the films. Finally, a linear coefficient of 21.1+/-3.2 meV/GPa characterizing the relationship between the luminescent bandgap and the biaxial stress of the GaN films is obtained. (C) 2003 American Institute of Physics.