Electronic structure and optical properties of quantum rods with wurtzite structure

The Hamiltonian of the wurtzite quantum rods with an ellipsoidal boundary is given after a coordinate transformation. The energies, wave functions, and transition possibilities are obtained as functions of the aspect ratio e with the same method we used on spherical dots. With an overall consideration of both the transition matrix element and the Boltzmann distribution we explained why the polarization factor increases with increasing e and approaches a saturation value, which tallies quite well with the experimental result. When e increases more and more S-z states are mixed into the ground, second, and third states of J(z)=1/2, resulting in an increase of the emission of z polarization. It is just the linear terms of the momentum operator in the hole Hamiltonian that cause the mixing of S and P states in the hole ground state. The effects of the crystal field splitting energy, temperature, and transverse radius to the polarization are also considered. We also calculated the band gap variation with the size and shape of the quantum rods.

Structural and optical properties of self-assembled InAs/GaAs quantum dots covered by InxGa1-xAs (0 <= x <= 0.3)

Optical and structural investigations of InAs quantum dots (QDs) covered by InxGa1-xAs (0 less than or equal to x less than or equal to 0.3) overgrowth layer have been systematically reported. The decrease of strain in the growth direction of InAs quantum dots covered by InGaAs layer instead of GaAs is demonstrated by transmission electron microscopy experiments. In addition, the atomic force microscopy measurement shows that the surface of InAs islands with 3-nm-thick In0.2Ga0.8As becomes flatter. However, the InGaAs islands nucleate on the top of quantum dots during the process of InAs islands covered with In0.3Ga0.7As. The significant redshift of the photoluminescence peak energy and reduction of photoluminescence linewidth of InAs quantum dots covered by InGaAs are observed. The energy gap change of InAs QDs covered by InGaAs could be explained in terms of reducing strain, suppressing compositional mixing, and increasing island height. (C) 2000 American Institute of Physics. [S0021-8979(00)04018-4].

Effects of rapid thermal annealing on the optical properties of GaNxAs1-x/GaAs single quantum well structure grown by molecular beam epitaxy

The effect of rapid thermal annealing (RTA) on the optical properties of GaNxAs1-x/GaAs strained single quantum well (SQW) was studied by low-temperature photoluminescence (PL). The GaNxAs1-x/GaAs SQW structures were prepared by dc active nitrogen plasma assisted molecular beam epitaxy. PL measurements on a series of samples with different well widths and nitrogen compositions were used to evaluate the effects of RTA. The annealing temperature and time were varied from 650 to 850 degrees C and 30 s to 15 min, respectively. Remarkable improvements of the optical properties of the samples were observed after RTA under optimum conditions. The interdiffusion constants have been calculated by taking into account error function diffusion and solving the Schrodinger equation. The estimated interdiffusion constants D are 10(-17)-10(-16) cm(2)/s for the earlier annealing conditions. Activation energies of 6-7 eV are obtained by fitting the temperature dependence of the interdiffusion constants. (C) 2000 American Institute of Physics. [S0021-8979(00)10401-3].

Optical properties of ZnSxTe1-x mixed crystals

The Raman scattering and the photoluminescence (PL) of ZnSxTe1-x mixed crystals grown by MBE, covering the entire composition range (0 less than or equal to x<1), were investigated. The results of Raman studies show that the phonons in ZnSxTe1-x mixed crystals display two-mode behavior. In addition, photoluminescence spectra obtained in backscattering and edge-emission geometries, reflection spectra and the temperature dependence of the photoluminescence of ZnSxTe1-x from 10 to 300K were employed to find out the origins of PL emissions in ZnSxTe1-x with different x values, The results indicate that the emission bands, for the samples with small x values, can be related to the band gap transitions or a shallow level emission center, while for the samples with large x values, they are designated to strong radiative recombinations of Te isoelectronic centers.

High energy ion implantation enhanced intermixed quantum well structures and their absorption characteristics in passive optical waveguides

We have shown that high energy ion implantation enhanced intermixing (HE-IIEI) technology for quantum well (QW) structures is a powerful technique which can be used to blue shift the band gap energy of a QW structure and therefore decrease its band gap absorption. Room temperature (RT) photoluminescence (PL) and guided-wave transmission measurements have been employed to investigate the amount of blue shift of the band gap energy of an intermixed QW structure and the reduction of band gap absorption, Record large blue shifts in PL peaks of 132 nm for a 4-QW InGaAs/InGaAsP/InP structure have been demonstrated in the intermixed regions of the QW wafers, on whose non-intermixed regions, a shift as small as 5 nm is observed. This feature makes this technology very attractive for selective intermixing in selected areas of an MQW structure. The dramatical reduction in band gap absorption for the InP based MQW structure has been investigated experimentally. It is found that the intensity attenuation for the blue shifted structure is decreased by 242.8 dB/cm for the TE mode and 119 dB/cm for the TM mode with respect to the control samples. Electro-absorption characteristics have also been clearly observed in the intermixed structure. Current-Voltage characteristics were employed to investigate the degradation of the p-n junction in the intermixed region. We have achieved a successful fabrication and operation of Y-junction optical switches (JOS) based on MQW semiconductor optical amplifiers using HE-IIEI technology to fabricate the low loss passive waveguide. (C) 1997 Published by Elsevier Science B.V.

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.

Investigation on the strain relaxation of InGaN layer and its effects on the InGaN structural and optical properties

The evolution of strain and structural properties of thick epitaxial InGaN layers grown on GaN with different thicknesses are investigated. It is found that, with increase in InGaN thickness, plastic relaxation via misfit dislocation generation becomes a more important strain relaxation mechanism. Accompanied with the relaxation of compressive strain, the In composition of InGaN layer increases and induces an apparent red-shift of the cathodoluminescence peak of the InGaN layer. On the other hand, the plastic relaxation process results in a high defect density, which degrades the structural and optical properties of InGaN layers. A transition layer region with both strain and In composition gradients is found to exist in the 450-nm-thick InGaN layer.

Growth of GaN layers on GaAs and GaP (111) and (001) substrates by molecular beam epitaxy

Films of GaN have been grown using a modified MBE technique in which the active nitrogen is supplied from an RF plasma source. Wurtzite films grown on (001) oriented GaAs substrates show highly defective, ordered polycrystalline growth with a columnar structure, the (0001) planes of the layers being parallel to the (001) planes of the GaAs substrate. Films grown using a coincident As flux, however, have a single crystal zinc-blende growth mode. They have better structural and optical properties. To improve the properties of the wurtzite films we have studied the growth of such films on (111) oriented GaAs and GaP substrates. The improved structural properties of such films, assessed using X-ray and TEM method, correlate with better low-temperature FL.

Optical properties of delta-doped GaAs and GaAs/Al0.1Ga0.9As superlattices

Radiative transition in delta-doped GaAs superlattices with and without Al0.1Ga0.9As barriers is investigated by using photoluminescence at low temperatures. The experimental results show that the transition mechanism of delta-doped superlattices is very different from that of ordinary superlattices. Emission intensity of the transition from the electron first excited state to hole states is obviously stronger than that from the electron ground state to hole states due to larger overlap integral between wavefunctions of electrons in the first excited state and hole states. Based on the effective mass theory we have calculated the self-consistent potentials, optical transition matrix elements and photoluminescence spectra for two different samples. By using this model we can explain the main optical characteristics measured. Moreover, after taking into account the bandgap renormalization energy, good agreement between experiment and theory is obtained.

A study on GaP/Si heterostructures grown by GS-MBE

GaP/Si is a promoting heterostructure for Si-based optoelectronic devices since lattice constants of GaP and Si are so closed that they can match with each other. GaP was successfully grow on (100) Si subtracts by Gas-Source Molecular Bean Epitaxy (GS-MBE) in the study. The GaP/Si heterostructure was characterized by X-ray double crystal diffraction, Anger electron spectrograph, X-ray photonic spectrograph and photoluminescence (PL) measurements. The results showed that the epitaxial GaP layers are single crystalline, in which a parallel to and a (perpendicular to)are 0.54322 and 0.54625 nm, respectively. The peaks in PL spectra of GaP epitaxial layer grown on Si are 650, 627 and 640 nm, respectively. The study demonstrated that GaP/Si is a kind of lattice matched heterostructures and will be a promoting materials for future integrated photonics.

New organic-inorganic perovskite materials with different optical properties modulated by different inorganic sheets

New organic-inorganic perovskites with different PbBr perovskite sheets stabilized by 3- or 4-an-tidinopyridine were synthesized and structurally characterized. 4-Amidinopyridine constructs < 001 >-oriented perovskite with inorganic sheets made up of typical corner-sharing octahedra of PbBr2. Analogous chemistry in the presence of 3-amidinopyridine under the same conditions results in an unusual hybrid perovskite with the inorganic sheets showing a novel framework including both corner-sharing and edge-sharing PbBr2, which is different from any previously reported ones.

Rational Design, Synthesis, and Optical Properties of Film-Forming, Near-Infrared Absorbing, and Fluorescent Chiromophores with Multidonors and Large Heterocyclic Acceptors

A new series of film-forming, low-bandgap chromophores (1a,b and 2a,b) were rationally designed with aid of a computational study., and then synthesized and characterized. To realize absorption and emission above the 1000 nm wavelength, the molecular design focuses on lowering the LUMO level by fusing common heterocyclic units into a large conjugated core that acts an electron acceptor and increasing the charge transfer by attaching the multiple electron-donating groups at the appropriate positions of the acceptor core. The chromophores have bandgap levels of 1.27-0.71 eV, and accordingly absorb at 746-1003 nm and emit at 1035-1290 nm in solution. By design, the relatively high molecular weight (up to 2400 g mol(-1)) and non-coplanar structure allow these near-infrared (NIR) chromophores to be readily spin-coated as uniform thin films and doped with other organic semiconductors for potential device applications. Doping with [6,6]-phenyl-C-61 butyric acid methyl ester leads to a red shift in the absorption on]), for la and 2a. An interesting NIR electrochromism was found for 2a, with absorption being turned on at 1034 nm when electrochemically switched (at 1000 mV) from its neutral state to a radical cation state. Furthermore, a large Stokes shift (256-318 nm) is also unique for this multidonor-acceptor type of chromophore.

Synthesis, structure and optical properties of different dimensional organic-inorganic perovskites

By varying the substituent position of aminomethyl on pyridine ring in acid solution, different dimensional lead bromide frameworks ranging from zero-dimension and one-dimension to two-dimension were obtained. 2-(Aminomethyl)pyridine (2-AMP) or 3-(aminomethyl)pyridine (3-AMP) and PbBr2 construct hybrid perovskites, of which (H(2)2-AMP)PbBr4 (1) exhibits two-dimensional perovskite sheets with special hydrogen bonds and (H(2)3-AMP)PbBr6 (2) shows an uncommon zero-dimensional inorganic framework with isolated octahedra. The characteristic exciton peaks in absorption spectra are located at 431 nm for compound 1 and at 428 nm for compound 2. (H(2)4-AMP)PbBr4 (3) with one-dimensional zigzag edge-sharing octahedral PbBr(4)(2-)chains can be obtained using 4-(aminomethyl)pyridine (4-AMP) as organic component under the same experimental conditions as those for 2-AMP and 3-AMP.

The influence of muffin-tin approximation on energy band gap

The influence of muffin-tin approximation on energy band gap was studied using LMTO-ASA (Linear Muffin-Tin Orbital-Atomic Sphere Approximation) approach. Since the diverse data are available for LaX(X=N, P, As, Sb), they are presented in our research as an example in order to test the reliability of our results. Four groups of muffin-tin radii were chosen, they were the fitted muffin-tin radii based on the optical properties of the crystals (the first), 1 : 1 for La : X(the second), 1.5 : 1 for La : X(the third), and a group of radii derived by making the charge in the interstitial space to be zero(the fourth). The results show that the fitted muffin-tin radii (the first group) give the best results compared with experimental values, and the predicted energy band gaps are very sensitive to the choice of muffin-tin radius in comparison with the other groups. The second and the third delivered results somewhere in between, while the fourth provided the worst results compared with the other groups. For the same crystal, with the increase of muffin-tin radius of lanthanum, the calculated energy band gaps decreased, going from semi-conductor to semimetal. This again clearly indicated the sensitivity of energy band structure on muffin-tin approximation.