Interface-related in-plane optical anisotropy in GaAs/AlxGa1-xAs single-quantum-well structures studied by reflectance difference spectroscopy

The in-plane optical anisotropies of a series of GaAs/AlxGa1-xAs single-quantum-well structures have been observed at room temperature by reflectance difference spectroscopy. The measured degree of polarization of the excitonic transitions is inversely proportional to the well width. Numerical calculations based on the envelope function approximation incorporating the effect of C-2v-interface symmetry have been performed to analyze the origin of the optical anisotropy. Good agreement with the experimental data is obtained when the optical anisotropy is attributed to anisotropic-interface structures. The fitted interface potential parameters are consistent with predicted values.

Computation of resonant frequencies and quality factors of cavities by FDTD technique and Pade approximation

The finite-difference time domain (FDTD) technique and the Pade approximation with Baker's algorithm are used to calculate the mode frequencies and quality factors of cavities. Comparing with the fast Fourier transformation/Pade method, we find that the Fade approximation and the Baker's algorithm can obtain exact resonant frequencies and quality factors based on a much shorter time record of the FDTD output.

Variational calculations of ionized-donor-bound excitons in GaAs-AlxGa1-xAs quantum wells

Using a two-parameter wave function, we calculate variationally the binding energy of an exciton bound to an ionized donor impurity (D+,X) in GaAs-AlxGa1-xAs quantum wells for the values of the well width from 10 to 300 Angstrom, when the dopant is located in the center of the well and at the edge of the well. The theoretical results confirm that the previous experimental speculation proposed by Reynolds tit al. [Phys. Rev. B 40, 6210 (1989)] is the binding energy of D+,X for the dopant at the edge of the well. in addition, we also calculate the center-of-mass wave function of the exciton and the average interparticle distances. The results are discussed in detail.

Resonant frequencies and quality factors for optical equilateral triangle resonators calculated by FDTD technique and the Pade approximation

The mode wavelength and quality factor (Q-factor) for resonant modes in optical equilateral triangle resonators (ETR's) are calculated by the finite-difference time-domain (FDTD) technique and the Pade approximation, For an ETR with the side length of 3 mu m and the refractive index of 3.2, we get the mode wavelength interval of about 70 nm and the Q-factor of the fundamental mode over 10(3), The results show that the ETR is suitable to realize single-mode operation, and that the radiation loss in the corner regions of ETR is rather low, In addition, the numerical results of the mode wavelength agree very well with our analytical formula.

Electronic, structural, and optical properties of crystalline yttria

The electronic structure of crystalline Y2O3 is investigated by first-principles calculations within the local-density approximation (LDA) of the density-functional theory. Results are presented for the band structure, the total density of states (DOS), the atom-and orbital-resolved partial DOS. effective charges, bond order, and charge-density distributions. Partial covalent character in the Y-O bonding is shown, and the nonequivalency of the two Y sites is demonstrated. The calculated electronic structure is compared with a variety of available experimental data. The total energy of the crystal is calculated as a function of crystal volume. A bulk modulus B of 183 Gpa and a pressure coefficient B' of 4.01 are obtained, which are in good agreement with compression data. An LDA band gap of 4.54 eV at Gamma is obtained which increases with pressure at a rate of dE(g)/dP = 0.012 eV/Gpa at the equilibrium volume. Also investigated are the optical properties of Y2O3 up to a photon energy of 20 eV. The calculated complex dielectric function and electron-energy-loss function are in good agreement with experimental data. A static dielectric constant of epsilon(O)= 3.20 is obtained. It is also found that the bottom of the conduction band consists of a single band, and direct optical transition at Gamma between the top of the valence band and the bottom of the conduction band may be symmetry forbidden.

Calculation of valence subband structures for strained GaInP/AlGaInP quantum wells without axial approximation

Usually in the calculation of valence subband structure for III-V direct bandgap material, axial approximation had been used in the Luttinger-Kohn model to simplify the computational efforts. In this letter, the valence subband structure for the GaInP/AlGaInP strained and lattice-matched quantum wells was calculated without axial approximation, on the basis of 6x6 Luttinger-Kohn Hamiltonian including strain and spin-orbit splitting effects. The numerical simulation results were presented with help of the finite-difference methods. The calculation results with/without axial approximation were compared and the effect of axial approximation on the valence subband structure was discussed in detail. The results indicated that there was a strong warping in the GaInP valence band, and axial approximation can lead to an error when k was not equal to zero, especially for compressively strained and lattice-matched GaInP/AlGaInP quantum wells.

Calculation of Light Delay by FDTD Technique and Pade Approximation

The time delay for light transmission in a coupled microring waveguide structure is calculated from the phase shift of the transmission coefficient obtained by Pade approximation with Baker's algorithm from FDTD Output. The results show that the Pade approximation is a powerful tool for saving time in FDTD simulation.

Description of a radially polarized Laguerre-Gauss beam beyond the paraxial approximation

Fifth-order corrected expressions for the fields of a radially polarized Laguerre-Gauss (R-TEMn1) laser beams are derived based on perturbative Lax series expansion. When the order of Laguerre polynomial is equal to zero, the corresponding beam reduces to the lowest-order radially polarized beam (R-TEM01). Simulation results show that the accuracy of the fifth-order correction for R-TEMn1 depends not only on the diffraction angle of the beam as R-TEM01 does, but also on the order of the beam. (c) 2007 Optical Society of America.

Electronic structure and magnetic coupling properties of Gd-doped AlN: first-principles calculations

In this work, the electronic structure and magnetic coupling properties of Gd doped AlN have been investigated using first-principles method. We found that in the AlN:Gd system, due to the s-f coupling allowed by the symmetry, the exchange splitting of the conduction band is much larger than that of the valence band, which makes the electron-mediated ferromagnetism possible in this material. This property is also confirmed by the energy differences between anti-ferromagnetic and ferromagnetic phase for Al14Gd2N16 with different concentrations of electrons (holes), as well as by the calculated exchange constants. The result indicates that Gd-doped AlN is a promising candidate for the applications in future spintronic devices.

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.

ENERGY-LEVEL CALCULATIONS OF THE RECONSTRUCTED 90-DEGREES PARTIAL DISLOCATION IN SILICON

An LCAO scheme taking into account 10 atomic orbitals (s-, p-, and d-type) applied to a supercell containing 256 atoms is used to calculate the bound states of the reconstructed 90-degrees partial dislocation in Si. The results differ significantly from our earlier calculations on the unreconstructed 90-degrees partial using the same method. We find two bands separate from each other in the entire Brillouin zone and the upper band penetrates deep into the indirect band gap which is in contradiction with the general opinion that core reconstruction clears the band gap of dislocation states.

CALCULATION OF DIELECTRIC-CONSTANTS FOR SEMICONDUCTORS - AN APPLICATION OF ABINITIO PSEUDOPOTENTIAL METHOD

We have used ab initio pseudopotential method to generate basis wavefunctions and eigen energies to carry out first principle calculations of the static macroscopic dielectric constant for GaAs and GaP. The resulted converged random phase approximation (RPA) value is 12.55 and 10.71, in excellent agreement to the experimental value of 12.4 and 10.86, respectively. The inclusion of the exchange correlation contribution makes the calculated result slightly worsen. A convergence test with respect to the number of k points in Brillouin zone (BZ) integration was carried out. Sixty irreducible BZ k points were used to achieve the converged results. Integration with only 10 special k points increased the RPA value by 15%.