A full spd tight-binding treatment for electronic bands of graphitic tubes

A tight-binding (TB) treatment with the inclusion of d orbitals is applied to the electronic structures of graphitic tubes. The results show that the high angular moment bases in TB scheme are necessary to account the severe curvature effect in ultra-thin single wall carbon nanotubes, especially for properly reproducing the band edge overlap behavior in (5, 0) tube, predicted by the existing ab initio calculations. In the large diameter limit, the participation of two synnmetry-allowed d bases provides a natural replication to the recent measured electronic dispersions of valence band of graphene when the strong anisotropy due to the two-dimensional planar hexagonal sheet structure is dealt with properly. In addition, the detailed relation between the two sets of quantum numbers of screw symmetry and that of zone folding is formulated in appendix. (C) 2008 Elsevier Ltd. All rights reserved.

p-type doping of GaInNAs quaternary alloys

Using the first-principles band-structure method, we investigate the p-type doping properties and band structural parameters of the random Ga1-xInxN1-yAsy quaternary alloys. We show that the Mg-Ga substitution is a better choice than ZnGa to realize the p-type doping because of the lower transition energy level and lower formation energy. The natural valence band alignment of GaAs and GaInNAs alloys is also calculated, and we find that the valence band maximum becomes higher with the increasing in composition. Therefore, we can tailor the band offset as desired which is helpful to confine the electrons effectively in optoelectronic devices. (C) 2008 Published by Elsevier B.V.

Intersubband optical absorption in quantum dots-in-a-well heterostructures

The theoretical analysis of intersubband optical transitions for InAs/ InGaAs quantum dots-in-a-well ( DWELL ) detectors are performed in the framework of effective-mass envelope- function theory. In contrast to InAs/ GaAs quantum dot (QD) structures, the calculated band structure of DWELL quantitatively confirms that an additional InGaAs quantum well effectively lowers the ground state of InAs QDs relative to the conduction-band edge of GaAs and enhances the confinement of electrons. By changing the doping level, the dominant optical transition can occur either between the bound states in the dots or from the ground state in the dots to bound states in the well, which corresponds to the far-infrared and long-wave infrared (LWIR ) peaks in the absorption spectra, respectively. Our calculated results also show that it is convenient to tailor the operating wavelength in the LWIR atmospheric window ( 8 - 12 mu m ) by adjusting the thickness of the InGaAs layer while keeping the size of the quantum dots fixed. Theoretical predictions agree well with the available experimental data. (c) 2005 American Institute of Physics.

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.

Effects of the wave function localization in AlInGaN quaternary alloys

Using the first-principles band-structure method and the special quasirandom structures approach, the authors have investigated the band structure of random AlxInyGa1-x-yN quaternary alloys. They show that the wave functions of the band edge states are more localized on the InN sites. Consequently, the photoluminescence transition intensity in the alloy is higher than that in GaN. The valence band maximum state of the quaternary alloy is also higher than GaN with the same band gap, indicating that the alloy can be doped more easily as p-type. (c) 2007 American Institute of Physics.

Effect of heavy boron doping on the electrical characteristics of SiGeHBTs

A modified version of the Jain-Roulston (J-R) model is developed that takes into account the compensation effect of B to Ge in strained SiGe layers for the first time. Based on this new model, the distribution of the bandgap narrowing (BGN) between the conduction and valence bands is calculated. The influence of this distribution on the transport characteristics of abrupt SiGe heterojunction bipolar transistors (HBTs) has been further considered by using the tunnelling and thermionic emission mechanisms instead of the drift and diffusion mechanisms at the interfaces where discontinuities in energy levels appear. The results show that our modified J-R model better fits the experimental values, and the energy band structure has a strong influence on electrical characteristics.

Thermal stress analysis for GaInAsP multiple quantum well wafer chemically bonded to Si (100)

An n-InP-based InGaAsP multiple-quantum-well wafer was bonded with p-Si by chemical surface activated bonding at 70 degrees C, and then annealed at 450 degrees C. Different thermal expansion coefficients between InP and Si will induce thermal stresses in the bonded wafer. Planar and cross-sectional distributions of thermal stress in the bonded InP-Si pairs were analyzed by a two-dimensional finite element method. In addition, the normal, peeling, and shear stresses were calculated by an analytic method. Furthermore, x-ray double crystalline diffraction was applied to measure the thermal strain and the strain caused by the mismatching of the crystalline orientation between InP (100) and Si (100). The wavelength redshift of the photoluminescence (PL) spectrum due to thermal strain was investigated via the calculation of the band structure, which is in agreement with the measured PL spectra.

Photoluminescence from the nitrogen-perturbed above-bandgap states in dilute GaAs1-xNx alloys: A microphotoluminescence study

Using microphotoluminescence (mu-PL), in dilute N GaAs1-xNx alloys, we observe a PL band far above the bandgap E-0 with its peak energy following the so-called E+ transition, but with contribution from perturbed GaAs host states in a broad spectral range (> 100 meV). This finding is in sharp contrast to the general understanding that E+ is associated with a well-defined conduction band level (either L-1c or N-x). Beyond this insight regarding the strong perturbation of the GaAs band structure caused by N incorporation, we demonstrate that a small amount of isoelectronic doping in conjunction with mu-PL allows direct observation of above-bandgap transitions that are not usually accessible by PL.

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.

Optical constants of cubic GaN/GaAs(001): Experiment and modeling

The optical constants epsilon(E)=epsilon(1)(E)+iepsilon(2)(E) of unintentionally doped cubic GaN grown on GaAs(001) have been measured at 300 K using spectral ellipsometry in the range of 1.5-5.0 eV. The epsilon(E) spectra display a structure, associated with the critical point at E-0 (direct gap) and some contribution mainly coming from the E-1 critical point. The experimental data over the entire measured spectral range (after oxide removal) has been fit using the Holden-Munoz model dielectric function [M. Munoz et al., J. Appl. Phys. 92, 5878 (2002)]. This model is based on the electronic energy-band structure near critical points plus excitonic and band-to-band Coulomb-enhancement effects at E-0, E-0 + Delta(0) and the E-1, E-1 + Delta(1), doublet. In addition to evaluating the energy of the E-0 critical point, the binding energy (R-1) of the two-dimensional exciton related to the E-1 critical point was estimated using the effective mass/k.p theory. The line, shape of the imaginary part of the cubic-GaN dielectric function shows excitonic effects at room temperature not withstanding that the exciton was not resolved. (C) 2003 American Institute of Physics.

Hydrostatic pressure effect on photoluminescence from a GaN0.015As0.985/GaAs quantum well

Photoluminescence from a GaN0.015As0.985/GaAs quantum well has been measured at 15 K under hydrostatic pressure up to 9 GPa. Both the emissions from the GaNAs well and GaAs barrier are observed. The GaNAs-related peak shows a much weaker pressure dependence compared to that of the GaAs band gap. A group of new peaks appear in the spectra when the pressure is beyond 2.5 GPa, which is attributed to the emissions from the N isoelectronic traps in GaAs. The pressure dependence of the GaNAs-related peaks was calculated using the two-level model with the measured pressure coefficients of the GaAs band gap and N level as fitting parameters. It is found that the calculated results deviate seriously from the experimental data. An increasing of the emission intensity and the linewidth of the GaNAs-related peaks was also observed and briefly discussed. (C) 2001 American Institute of Physics.

Formation of InAs quantum dots on low-temperature GaAs epi-layer

InAs self-organized quantum dots (QDs) grown on annealed low-temperature GaAs (LT-GaAs) epi-layers and on normal temperature GaAs buffer layers have been compared by transmission electron microscopy (TEM) and photoluminescence (PL) measurements. TEM evidences that self-organized QDs were formed with a smaller size and larger density than that on normal GaAs buffer layers. It is discussed that local tensile surface strain regions that are preferred sites for InAs islands nucleation are increased in the case of the LT-GaAs buffer layers due to exhibiting As precipitates. The PL spectra show a blue-shifted peak energy with narrower linewidth revealing the improvement of optical properties of the QDs grown on LT-GaAs epi-layers. It suggests us a new way to improve the uniformity and change the energy band structure of the InAs self-organized QDs by carefully controlling the surface stress states of the LT-GaAs buffers on which the QDs are formed. (C) 2000 Elsevier Science B.V. All rights reserved.

Study of self-assembled InAs quantum dots grown on low temperature GaAs epi-layer

InAs self-organized quantum dots (QDs) grown on annealed low temperature GaAs (LT-GaAs) epi-layer were investigated by transmission electron microscopy (TEM) and photoluminescence (PL) measurement. TEM showed that QDs formed on annealed LT-GaAs epi-layer have a smaller size and a higher density than QDs formed on normal GaAs buffer layer. In addition, the PL spectra analysis showed that the LT-GaAs epi-layer resulted in a blue shift in peak energy, and a narrower linewidth in the PL peak. The differences were attributed to the point defects and As precipitates in annealed LT-GaAs epi-layer for the point defects and As precipitates change the strain field of the surface. The results provide a method to improve the uniformity and change the energy band structure of the QDs by controlling the defects in the LT-GaAs epi-layer.

Self-organized type-II In0.55Al0.45As/Al0.50Ga0.50As quantum dots realized on GaAs(311)A

Self-organized In0.55Al0.45As/Al0.50Ga0.50As quantum dots are grown by the Stranski-Krastanow growth mode using molecular beam epitaxy on the GaAs(311)A substrate. The optical properties of type-II InAlAs/AlGaAs quantum dots have been demonstrated by the excitation power and temperature dependence of photoluminescence spectra. A simple model accounting for the size-dependent band gap of quantum dots is given to qualitatively understand the formation of type-II In0.55Al0.45As/Al0.50Ga0.50As quantum dots driven by the quantum-confinement-induced Gamma --> X transition. The results provide new insights into the band structure of InAlAs/AlGaAs quantum dots. (C) 2000 American Institute of Physics. [S0003-6951(00)00725-7].

Absorption spectra of nanocrystalline silicon embedded in SiO2 matrix

Nanocrystalline silicon (nc-Si) embedded SiO2 matrix has been formed by annealing the SiOx films fabricated by plasma-enhanced chemical vapor deposition (PECVD) technique. Absorption coefficient and photoluminescence of the films have been measured at room temperature. The experimental results show that there is an "aUrbach-like" b exponential absorption in the spectral range of 2.0-3.0 eV. The relationship of (alpha hv)(1/2) proportional to(hv - E-g) demonstrates that the luminescent nc-Si have an indirect band structure. The existence of Stokes shift between photoluminescence and absorption edge indicates that radiative combination can take place not only between electron states and hole states but also between shallow trap states of electrons and holes. (C) 2000 Elsevier Science B.V. All rights reserved.