The second dissociation threshold bound levels of hydrogen molecule

The near-threshold highly bound states of all three stable isotopic variants of molecular hydrogen have been studied. Numerous perturbations and unexpected transitions are observed as far as 1cm(-1) just below the second dissociation threshold. This complex structure may arise from a combination of nonadiabatic coupling between B, B', C electronic states, perturbations due to. ne and hyperfine interactions, and strong shape resonances. The perturbed near-threshold states and vibrational continuum exhibit finegrained structure, differing greatly between isotopes because of varying nonadiabatic coupling.

Electron tunneling through double magnetic barriers on the surface of a topological insulator

We study electron tunneling through a planar magnetic and electric barrier on the surface of a three-dimensional topological insulator. For the double barrier structures, we find (i) a directional-dependent tunneling which is sensitive to the magnetic field configuration and the electric gate voltage, (ii) a spin rotation controlled by the magnetic field and the gate voltage, (iii) many Fabry-Perot resonances in the transmission determined by the distance between the two barriers, and (iv) the electrostatic potential can enhance the difference in the transmission between the two magnetization configurations, and consequently lead to a giant magnetoresistance. Points (i), (iii), and (iv) are alike with that in graphene stemming from the same linear-dispersion relations.

DENSITY-OF-STATES OF THE 2-DIMENSIONAL ELECTRON-GAS STUDIED BY MAGNETOCAPACITANCES OF BIASED DOUBLE-BARRIER STRUCTURES

The magnetocapacitive response of a double-barrier structure (DBS), biased beyond resonances, has been employed to determine the density of states (DOS) of the two-dimensional electron gas residing in the accumulation layer on the incident side of the DBS. An adequate procedure is developed to compare the model calculation of the magnetocapacitance with the experimental C vs B curves measured at different temperatures and biases. The results show that the fitting is not only self-consistent but also remarkably good even in well-defined quantum Hall regimes. As a result, information about the DOS in strong magnetic fields could reliably be extracted.

ELECTRONIC-STRUCTURES OF THE ALKALI-CONTAINING BUCKMINSTERFULLERENES (A-DELTA-C60) (A=LI,NA,K,RB,CS) AND THE HALOGEN-CONTAINING BUCKMINSTERFULLERENES (H-DELTA-C60) (H=F,CL,BR,I)

The geometrical parameters and electronic structures of C60, (A partial derivative C60) (A = Li, Na, K, Rb, Cs) and (H partial derivative C60) (H = F, Cl, Br, I) have been calculated by the EHMO/ASED (atom superposition and electron delocalization) method. When putting a central atom into the C60 cage, the frontier and subfrontier orbitals of (A partial derivative C60) (A = Li, Na, K, Rb, Cs) and (H partial derivative C60) (H = F, Cl) relative to those of C60 undergo little change and thus, from the viewpoint of charge transfer, A (A = Li, Na, K, Rb, Cs) and H (H = F, Cl) are simply electron donors and acceptors for the C60 cage resPeCtively. Br is an electron acceptor but it does influence the frontier and subfrontier MOs for the C60 cage, and although there is no charge transfer between I and the C60 cage, the frontier and subfrontier MOs for the C60 cage are obviously influenced by I. The stabilities DELTAE(X) (DELTAE(X) = (E(X) + E(C60)) - E(x partial derivative C60)) follow the sequence I < Br < None < Cl < F < Li < Na < K < Rb < Cs while the cage radii r follow the inverse sequence. The stability order and the cage radii order have been explained by means of the (exp-6-1) potential.

DEFECT MODEL OF PHOTOCONVERSION BY OXYGEN IN SEMIINSULATING GAAS

The basic idea of a defect model of photoconversion by an oxygen impurity in semi-insulating GaAs, proposed in an earlier paper, is described in a systematic way. All experiments related to this defect, including high-resolution spectroscopic measurements, piezospectroscopic study, and recent measurements on electronic energy levels, are explained on the basis of this defect model. The predictions of the model are in good agreement with the experiments. A special negative-U mechanism in this defect is discussed in detail with an emphasis on the stability of the charge states. The theoretical basis of using a self-consistent bond-orbital model in the calculation is also given.

AN ANALYSIS OF CHARGE STATES FOR LOCAL VIBRATIONAL-MODES BY OXYGEN DEFECTS IN SEMI-INSULATING GAAS

The high-resolution spectral measurements for new local vibrational modes near 714 cm-1 due to the oxygen defect in semi-insulating GaAs are analyzed on the basis of a model calculation by self-consistent bond orbital approach. Two charge states of oxygen atom with 1 and 2 extra electrons are assigned to be responsible for these local modes. The observed frequencies are explained by the properties of Ga-O-1 and Ga-O-2 bonds and the calculated cohesive energy indicates that the O-2 state is stable. The results are in good agreement with the kinetic analysis.

Reflectance-difference spectroscopy study of the Fermi-level position of low-temperature-grown GaAs

The results of a reflectance-difference spectroscopy study of GaAs grown on (100) GaAs substrates by low-temperature molecular-beam epitaxy (LT-GaAs) are presented. In-plane optical anisotropy resonances which come from the linear electro-optic effect produced by the surface electric field are observed. The RDS line shape of the resonances clearly shows that the depletion region of LT-GaAs is indeed extremely narrow (much less than 200 Angstrom). The surface potential is obtained from the RDS resonance amplitude without the knowledge of space-charge density. The change of the surface potential with post-growth annealing temperatures reflects a complicated movement of the Fermi level in LT-GaAs. The Fermi level still moves for samples annealed at above 600 degrees C, instead of being pinned to the As precipitates. This behavior can be explained by the dynamic properties of defects in the annealing process.

Electronic structure of quantum spheres and quantum wires

The electronic structures of quantum spheres and quantum wires are studied in the framework of the effective-mass theory. The spin-orbital coupling (SOC) effect is taken into account. On the basis of the zero SOC limit and strong SOC limit the hole quantum energy levels as functions of SOC parameter lambda are obtained. There is a fan region in which the ground and low-lying excited states approach those in the strong SOC limit as lambda increases. Besides, some theoretical results on the corrugated superlattices (CSL) are given.

Competitions of magnetism and superconductivity in FeAs-based materials

Using the numerical unrestricted Hartree-Fock approach, we study the ground state of a two-orbital model describing newly discovered FeAs-based superconductors. We observe the competition of a (0, π) mode spin-density wave and the superconductivity as the doping concentration changes. There might be a small region in the electron-doping side where the magnetism and superconductivity coexist. The superconducting pairing is found to be spin singlet,orbital even, and coexisting sxy + dx~2-y~2 wave (even parity).

Upconversion emission of a Er3+-doped glass microsphere under 633 nm excitation

In this work, The TBS glass microspheres doped with Er3+ for morphology-dependent resonances of upconversion emission were designed. The glass sample components are 25TiO(2)-27BaCO(3)-8Ba(NO3)(2)-6ZnO(2)-9CaCO(3)-5H(3)BO(3)-10SiO(2)-7water glass-3Er(2)O(3) (wt%), and the emission spectra of TBS glass and a TBS glass microsphere (about 48 mum in diameter) were measured under 633 nm excitation and discussed. The strong morphology-dependent resonances of upconversion luminescences in the microsphere were observed. The observed resonances could be assigned by using the well-known Lorenz-Mie Formalism. (C) 2003 Elsevier Ltd. All rights reserved.

Electronic structure and optical property of semiconductor nanocrystallites

Semiconductor nanostructures show many special physical properties associated with quantum confinement effects, and have many applications in the opto-electronic and microelectronic fields. However, it is difficult to calculate their electronic states by the ordinary plane wave or linear combination of atomic orbital methods. In this paper, we review some of our works in this field, including semiconductor clusters, self-assembled quantum dots, and diluted magnetic semiconductor quantum dots. In semiconductor clusters we introduce energy bands and effective-mass Hamiltonian of wurtzite structure semiconductors, electronic structures and optical properties of spherical clusters, ellipsoidal clusters, and nanowires. In self-assembled quantum dots we introduce electronic structures and transport properties of quantum rings and quantum dots, and resonant tunneling of 3-dimensional quantum dots. In diluted magnetic semiconductor quantum dots we introduce magnetic-optical properties, and magnetic field tuning of the effective g factor in a diluted magnetic semiconductor quantum dot. (C) 2004 Elsevier B.V. All rights reserved.

Effects of residual C and O impurities on photoluminescence in undoped GaN epilayers

Photoluminescence (PL) was investigated in undoped GaN from 4.8 K to room temperature. The 4.8 K spectra exhibited recombinations of free exciton, donor-acceptor pair (DAP), blue and yellow bands (Ybs). The blue band (BB) was also identified to be a DAP recombination. The YB was assigned to a recombination from deep levels. The energy-dispersive X-ray spectroscopy show that C and O are the main residual impurities in undoped GaN and that C concentration is lower in the epilayers with the stronger BB. The electronic structures of native defects, C and O impurities, and their complexes were calculated using ab initio local-density-functional (LDF) methods with linear muffin-tin-orbital and 72-atomic supercell. The theoretical analyses suggest that the electron transitions from O-N states to C-N and to V-Ga states are responsible for DAP and the BB, respectively, and the electron transitions between the inner levels of the C-N-O-N complex may be responsible for the YB in our samples. (C) 2002 Elsevier Science B.V. All rights reserved.

Flat Surface Plasmon Polariton Bands in Bragg Grating Waveguide for Slow Light

The formations of the surface plasmonpolariton (SPP) bands in metal/air/metal (MAM) sub-wavelength plasmonic grating waveguide (PGW) are proposed. The band gaps originating from the highly localized resonances inside the grooves can be simply estimated from the round trip phase condition. Due to the overlap of the localized SPPs between the neighboring grooves, a Bloch mode forms in the bandgap and can be engineered to build a very flat dispersion for slow light. A chirped PGW with groove depth varying is also demonstrated to trap light, which is validated by finite-difference time-domain (FDTD) simulations with both continuous and pulse excitations.

Pion Production in Heavy-ion Collisions in the 1 A GeV region

Within the framework of the improved isospin dependent quantum molecular dynamics (ImIQMD) model, the pion emission in heavy-ion collisions in the region 1AGeV is investigated systematically, in which the pion is considered to be mainly produced by the decay of resonances ∆(1232) and N∗(1440). The in-medium dependence and Coulomb effects of the pion production are included in the calculation. Total pion multiplicity and π−/π+ yields are calculated for the reaction 197Au+197Au in central collisions for selected Skyrme parameters SkP, SLy6,Ska, SIII and compared them with the measured data by the FOPI collaboration.