EMPIRICAL PSEUDOPOTENTIAL BAND-STRUCTURE CALCULATION FOR ZN1-XCDXSYSE1-Y QUATERNARY ALLOY

The band structure of the Zn1-xCdxSySe1-y quaternary alloy is calculated using the empirical pseudopotential method and the virtual crystal approximation. The alloy is found to be a direct-gap semiconductor for all x and y composition. Polynomial approximation is obtained for the energy gap as a function of the composition x and y. Electron and hole effective masses are also calculated along various symmetry axes for different compositions and the results agree fairly well with available experimental values.

SHEAR-DEFORMATION-POTENTIAL CONSTANT OF THE CONDUCTION-BAND MINIMA OF SI - EXPERIMENTAL-DETERMINATION BY THE DEEP-LEVEL CAPACITANCE TRANSIENT METHOD

The shear-deformation-potential constant XI-u of the conduction-band minima of Si has been measured by a method which we called deep-level capacitance transient under uniaxial stress. The uniaxial-stress (F) dependence of the electron emission rate e(n) from deep levels to the split conduction-band minima of Si has been analyzed. Theoretical curves are in good agreement with experimental data for the S0 and S+ deep levels in Si. The values of XI-u obtained by the method are 11.1 +/- 0.3 eV at 148.9 K and 11.3 +/- 0.3 eV at 223.6 K. The analysis and the XI-u values obtained are also valuable for symmetry determination of deep electron traps in Si.

Calculation of the band structure of semiconductor quantum wells using scattering matrices

The transfer-matrix method widely used in the calculation of the band structure of semiconductor quantum wells is found to have limitations due to its intrinsic numerical instability. It is pointed out that the numerical instability arises from free-propagating transfer matrices. A new scattering-matrix method is developed for the multiple-band Kane model within the envelope-function approximation. Compared with the transfer-matrix method, the proposed algorithm is found to be more efficient and stable. A four-band Kane model is used to check the validity of the method and the results are found to be in good agreement with earlier calculations.

Multi-quasiparticle gamma-band structure in neutron-deficient Ce and Nd isotopes

The newly developed multi-quasiparticle triaxial projected shell model approach is employed to study the high-spin band structures in neutron-deficient even-even Ce- and Nd-isotopes. It is observed that gamma-bands are built on each intrinsic configuration of the triaxial mean-field deformation. Due to the fact that a triaxial configuration is a superposition of several K-states, the projection from these states results in several low-lying bands originating from the same intrinsic configuration. This generalizes the well-known concept of the surface gamma-oscillation in deformed nuclei based on the ground-state to gamma-bands built on multi-quasiparticle configurations. This new feature provides an alternative explanation on the observation of two I = 10 aligning states in Ce-134 and both exhibiting a neutron character. (C) 2009 Elsevier B.V. All rights reserved.

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.

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.

The influence of 1 nm AlN interlayer on properties of the Al0.3Ga0.7N/AlN/GaN HEMT structure

The sheet carrier concentrations, conduction band profiles and amount of free carriers in the barriers have been determined by solving coupled Schrodinger and Poisson equation self-consistently for coherently grown Al0.3Ga0.7N/GaN and Al0.3Ga0.7N/AlN/GaN structures on thick GaN. The Al0.3Ga0.7N/GaN heterojunction structures with and without 1 nm AlN interlayer have been grown by MOCVD on sapphire substrate, the physical properties for these two structures have been investigated by various instruments such as Hall measurement and X-ray diffraction. By comparison of the theoretical and experimental results, we demonstrate that the sheet carrier concentration and the electrons mobility would be improved by the introduction of an AlN interlayer for Al0.3Ga0.7N/GaN structure. Mechanisms for the increasing of the sheet carrier concentration and the electrons mobility will be discussed in this paper. (C) 2007 Elsevier Ltd. All rights reserved.

Electronic structure and optical gain saturation of InAs1-xNx/GaAs quantum dots

The electronic band structures and optical gains of InAs1-xNx/GaAs pyramid quantum dots (QDs) are calculated using the ten-band k . p model and the valence force field method. The optical gains are calculated using the zero-dimensional optical gain formula with taking into consideration of both homogeneous and inhomogeneous broadenings due to the size fluctuation of quantum dots which follows a normal distribution. With the variation of QD sizes and nitrogen composition, it can be shown that the nitrogen composition and the strains can significantly affect the energy levels especially the conduction band which has repulsion interaction with nitrogen resonant state due to the band anticrossing interaction. It facilitates to achieve emission of longer wavelength (1.33 or 1.55 mu m) lasers for optical fiber communication system. For QD with higher nitrogen composition, it has longer emission wavelength and less detrimental effect of higher excited state transition, but nitrogen composition can affect the maximum gain depending on the factors of transition matrix element and the Fermi-Dirac distributions for electrons in the conduction bands and holes in the valence bands respectively. For larger QD, its maximum optical gain is greater at lower carrier density, but it is slowly surpassed by smaller QD as carrier concentration increases. Larger QD can reach its saturation gain faster, but this saturation gain is smaller than that of smaller QD. So the trade-off between longer wavelength, maximum optical, saturation gain, and differential gain must be considered to select the appropriate QD size according to the specific application requirement. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3143025]

Pressure behavior of the alloy band edge and nitrogen-related centers in GaAs0.999N0.001

The photoluminescence of a GaAsN alloy with 0.1% nitrogen has been studied under pressures up to 8.5 GPa at 33, 70, and 130 K. At ambient pressure, emissions from both the GaAsN alloy conduction band edge and discrete nitrogen-related bound states are observed. Under applied pressure, these two types of emissions shift with rather different pressure coefficients: about 40 meV/GPa for the nitrogen-related features, and about 80 meV/GPa for the alloy band-edge emission. Beyond 1 GPa, these discrete nitrogen-related peaks broaden and evolve into a broad band. Three new photoluminescence bands emerge on the high-energy side of the broad band, when the pressure is above 2.5, 4.5, and 5.25 GPa, respectively, at 33 K. In view of their relative energy positions and pressure behavior, we have attributed these new emissions to the nitrogen-pair states NN3 and NN4, and the isolated nitrogen state N-x. In addition, we have attributed the high-energy component of the broad band formed above 1 GPa to resonant or near-resonant NN1 and NN2, and its main body to deeper cluster centers involving more than two nitrogen atoms. This study reveals the persistence of all the paired and isolated nitrogen-related impurity states, previously observed only in the dilute doping limit, into a rather high doping level. Additionally, we find that the responses of different N-related states to varying N-doping levels differ significantly and in a nontrivial manner.

An n-type SiGe/Ge QC structure utilizing the deep Ge quantum well for electron at the Gamma point

In this paper, an n-type Si1-xGex/Ge (x >= 0.85) quantum cascade (QC) structure utilizing a deep Ge quantum well for electrons at the Gamma point is proposed. Based on linear interpolation, a conduction band offset at the Gamma point in a Si1-xGex/Ge ( x >= 0.85) heterostructure is presented, which is suitable for designing a QC laser. This approach has the advantages of a large conduction band offset at the Gamma point, a low lattice mismatch between the Si1-xGex/Ge ( x >= 0.85) active layers and the Si1-yGey ( y > x) virtual substrate, a small electron effective mass in the Gamma band, simple conduction energy band structures and a simple phonon scattering mechanism in the Ge quantum well. The theory predicts that if high-energy electrons are continuously injected into the Gamma band, a quasi-equilibrium distribution of electrons between the Gamma and L bands can be reached and held, i.e., electrons with a certain density will be kept in the Gamma band. This result is supported by the intervalley scattering experiments. In n-type Si1-xGex/Ge ( x >= 0.85) QC structures, population inversion between the laser's upper and lower levels is demonstrated.

Electronic structure and g factors of narrow-gap zinc-blende nanowires and nanorods

The Hamiltonian in the framework of eight-band effective-mass approximation of the zinc-blende nanowires and nanorods in the presence of external homogeneous magnetic field is given in the cylindrical coordinate. The electronic structure, optical properties, magnetic energy levels, and g factors of the nanowires and nanorods are calculated. It is found that the electron states consist of many hole-state components, due to the coupling of the conduction band and valence band. For the normal bands which are monotone functions of |k(z)|, long nanorods can be modeled by the nanowires, the energy levels of the nanorods approximately equal the values of the energy band E(k(z)) of the nanowires with the same radius at a special k(z), where k(z) is the wave vector in the wire direction. Due to the coupling of the states, some of the hole energy bands of the nanowires have their highest points at k(z)=0. Especially, the highest hole state of the InSb nanowires is not at the k(z)=0 point. It is an indirect band gap. For these abnormal bands, nanorods can not be modeled by the nanowires. The energy levels of the nanorods show an interesting plait-like pattern. The linear polarization factor is zero, when the aspect ratio L/2R is smaller than 1, and increases as the length increases. The g(z) and g(x) factors as functions of the k(z), radius R and length L are calculated for the wires and rods, respectively. For the wires, the g(z) of the electron ground state increases, and the g(z) of the hole ground state decreases first, then increases with the k(z) increasing. For the rods, the g(z) and g(x) of the electron ground state decrease as the R or the L increases. The g(x) of the hole ground state decreases, the g(z) of the hole ground state increases with the L increasing. The variation of the g(z) of the wires with the k(z) is in agreement with the variation of the g(z) of the rods with the L.

Electronic structure and electron g factors of HgTe quantum dots

The electronic structure and electron g factors of HgTe quantum dots are investigated, in the framework of the eight-band effective-mass approximation. It is found that the electron states of quantum spheres have aspheric properties due to the interaction between the conduction band and valence band. The highest hole states are S (l = 0) states, when the radius is smaller than 9.4 nm. the same as the lowest electron states. Thus strong luminescence from H-Te quantum dots with radius smaller than 9.4 nm has been observed (Rogach et al 2001 Phys. Statits Solidi b 224 153). The bandgap of H-Te quantum spheres is calculated and compared with earlier experimental results (Harrison et al 2000 Pure Appl. Chem. 72 295). Due to the quantum confinement effect, the bandgap of the small HgTe quantum spheres is positive. The electron g factors of HgTe quantum spheres decrease with increasing radius and are nearly 2 when the radius is very small. The electron g factors of HgTe quantum ellipsoids are also investigated. We found that as some of the three dimensions increase, the electron g factors decrease. The more the dimensions increase, the more the g factors decrease. The dimensions perpendicular to the direction of the magnetic field affect the g factors more than the other dimension.

Energy structure and fluorescence of Eu2+ in ZnS : Eu nanoparticles

Eu2+-doped ZnS nanoparticles with an average size of around 3 nm were prepared, and an emission band around 530 nm was observed. By heating in air at 150 degrees C, this emission decreased, while the typical sharp line emission of Eu3+ increased. This suggests that the emission around 530 nm is from intraion transition of Eu2+: In bulk ZnS:Eu2+, no intraion transition of Eu2+ was observed because the excited states of Eu2+ are degenerate with the continuum of the ZnS conduction band. We show that the band gap in ZnS:Eu2+ nanoparticles opens up due to quantum confinement, such that the conduction band of ZnS is higher than the first excited state of Eu2+, thus enabling the intraion transition of Eu2+ to occur.