Ab initio calculations for the neutral and charged O vacancy in sapphire

The energetics, lattice relaxation, and the defect-induced states of st single O vacancy in alpha-Al2O3 are studied by means of supercell total-energy calculations using a first-principles method based on density-functional theory. The supercell model with 120 atoms in a hexagonal lattice is sufficiently large to give realistic results for an isolated single vacancy (square). Self-consistent calculations are performed for each assumed configuration of lattice relaxation involving the nearest-neighbor Al atoms and the next-nearest-neighbor O atoms of the vacancy site. Total-energy data thus accumulated are used to construct an energy hypersurface. A theoretical zero-temperature vacancy formation energy of 5.83 eV is obtained. Our results show a large relaxation of Al (O) atoms away from the vacancy site by about 16% (8%) of the original Al-square (O-square) distances. The relaxation of the neighboring Al atoms has a much weaker energy dependence than the O atoms. The O vacancy introduces a deep and doubly occupied defect level, or an F center in the gap, and three unoccupied defect levels near the conduction band edge, the positions of the latter are sensitive to the degree of relaxation. The defect state wave functions are found to be not so localized, but extend up to the boundary of the supercell. Defect-induced levels are also found in the valence-band region below the O 2s and the O 2p bands. Also investigated is the case of a singly occupied defect level (an F+ center). This is done by reducing both the total number of electrons in the supercell and the background positive charge by one electron in the self-consistent electronic structure calculations. The optical transitions between the occupied and excited states of the: F and F+ centers are also investigated and found to be anisotropic in agreement with optical data.

Absorption and luminescence of the surface states in ZnS nanoparticles

A broad absorption band around 500 nm is observed in ZnS nanoparticles. The absorption becomes more intensive and shifts to the blue as the particle size is decreased. The absorption energy is lower than the band gap of the particles and is considered to be caused by the surface states. This assignment is supported by the results of the fluorescence and of the thermoluminescence of the surface states. Both the absorption and the fluorescence reveal that the surface states are size dependent. The glow peak of the semiconductor particles is not varied as much upon decreasing size, indicating the trap depth of the surface states is not sensitive to the particle size. Considering these results, a new model on the size dependence of the surface states is proposed, which may explain our observations reasonably. (C) 1997 American Institute of Physics.

Intersubband absorption from In0.26Ga0.74As/GaAs quantum dot superlattice

We have grown a high-quality 20 period InGaAs/GaAs quantum dot superlattice with a standard structure typically used for quantum well infrared photodetector. Normal incident absorption was observed around 13-15 mu m. Potential applications for this work include high-performance quantum dot infrared detectors.

Intraband optical absorption in semiconductor coupled quantum dots

In the framework of effective mass envelope function theory, absorption coefficients are calculated for intraband (intersubband in the conduction band) optical transition in InAs/GaAs coupled quantum dots. In our calculation the microscpic distributon of the strain is taken into account. The absorption in coupled quantum dots is quite different from that of superlattices. In superlattices, the absorption does not exist when the electric vector of light is parallel to the superlattice plane (perpendicular incident). This introduces somewhat of a difficulty in fabricating the infrared detector. In quantum dots, the absorption exists when light incident along any direction, which may be good for fabricating infrared detectors.

Spectroscopic properties of anisotropic absorption in a neodymium-doped YAlO3 laser crystal

Absorption spectra of YAlO3:Nd for the three crystallographic axes are investigated at room temperature, The spectral strengths indicate that the absorption coefficient of YAlO3:Nd is anisotropic. The anisotropy of the local electric field acting on the rare-earth ion in a laser crystal is considered, An extended Judd-Ofelt theory is applied to calculate the absorption cross sections and oscillator strengths of the electric-dipole transitions in the different principal directions. Three groups of the phenomenological parameters are derived from a least-squares-fitting procedure. We also analyze theoretically the anisotropy of the optical absorption of YAlO3:Nd crystal in detail. (C) 1997 American Institute of Physics.

Normal incident infrared absorption from InGaAs/GaAs quantum dot superlattice

The authors report for the first time, normal incident infrared absorption around the wavelength of 13-15 mu m from a 20 period InGaAs/GaAs quantum dot supperlatice (QDS). The structure of a QDS has been-confirmed by cross-section transmission electron microscopy (TEM) and by a photoluminescence spectrum (PL). This opens the way to high performance 8-14 mu m quantum dot infrared detectors.

Verification of EL2 electronic absorption effect on charge transfer in semi-insulating GaAs

The electronic absorption of EL2 centers has been clarified to be related to the electron acid hole photoionizations, and the transition from its ground state to metastable state, respectively. Under an illumination with a selected photon energy in the near infrared region, these three processes with different optical cross sections will show different kinetics against the illumination time. It has recently been shown that the photosensitivity (measured under 1.25 eV illumination) of the local vibrational mode absorption induced by some deep defect centers in SI-GaAs is a consequence of the electron and hole photoionizations of EL2. This paper directly measures the kinetics of the electronic transition associated with EL2 under 1.25 eV illumination, which implies the expected charge transfer among different charge states of the EL2 center. A calculation based on a simple rate equation model is in good agreement with the experimental results.

INFRARED-ABSORPTION DUE TO 2-DIMENSIONAL-ELECTRON-GAS COLLECTIVE EXCITATION IN GAAS/ALXGA1-XAS MULTIPLE-QUANTUM-WELL STRUCTURES

Infrared absorption due to a collective excitation of a two-dimensional electronic gas was observed in GaAs/AlxGa1-xAs multiple-quantum wells when the incident light is polarized parallel to the quantum-well plane. We attribute this phenomenon to a plasma oscillation in the quantum wells. The measured wavelength of the absorption peak due to the plasma oscillation agrees with our theoretical analysis. In addition, in this study the plasma-phonon coupling effect is also fitted to the experimental result. We show that the absorption is not related to the intersubband transitions but to the intrasubband transition, which originates from a plasma oscillation.