Ultraslow phonon-assisted collapse of tubular image states

We predict ultraslow collapse of “tubular image states” (TIS) on material surfaces. TIS are bound Rydberg-like electronic states formed at large distances (∼30 nm) from the surfaces of suspended circularly-symmetric nanowires, such as metallic C nanotubes. The states are formed in potential wells, resulting from a combination of the TIS-electron attraction to image charges in the nanotube and its centrifugal repulsion, caused by spinning around the tube. We demonstrate that TIS can collapse on the tube surface by passing their angular momentum l to circularly polarized flexural phonons excited in the tube. Our analysis shows that for highly detached TIS with l ? 6 the relaxation lifetimes are of the order of 10 ns-1 μs, while for l < 6 these lifetimes are reduced by several orders of magnitude.     

Thermal conductance for single wall carbon nanotubes

We report a theoretical analysis of the phonon thermal conductance, κ(T), for single wall carbon nanotubes (SWCN). In a range of low temperatues up to 100 K, κ(T) of perfect SWCN is found to increase with temperature, approximately, in a parabolic fashion. This is qualitatively consistent with recent experimental measurements where the tube-tube interactions are negligibly weak. When the carbon-carbon bond length is slightly varied, κ(T) is found to be qualitatively unaltered which implies that the anharmonic effect does not change the qualitative behavior of κ(T). Received 12 June 2001     

Photoluminescence Characterization of Silicon Nanoparticles Hybridized Europium Complex

A europium complex Eu (DBM)3 TPPO (Eu tris(benzoylmethide)-(triphenylphosphine oxide)) and silicon nanoparticles have been hybridized.The hybridization can evidently change the photoluminescence (PL) characteristics of the Eu complex in the following aspects:under an excitation of 390nm,the intensity of the PL peak at 611nm due to the ^5Du-^7F2 transition of the Eu^3 ions has been increased by 30%,and thc integrated PL intensity in the visible range has been increased by nearly 3 times;the PL excitation efficiency beyond 440nm has been improved cvidently;the peak in the PL excitation spectrum shifts from 408nm to 388nm,and the PL decay time decreases from 2.07 to 0.96μs,The experimental results indicatde that in the PL process,the photoexcited energy may transfer from the silicon nanoparticlcs to the Eu^3 ions.     

Phonon structure and dynamics of boron nitride single wall nanotube

We report a detailed study of the phonon properties of hexagonal boron nitride (BN) monolayers as well as nanotubes by using De Launay type of angular force model. The force constants used for calculation of phonon dispersion relations of the nanotube are derived from those for the monolayers of hexagonal by employing force constant method. These force constants have been modified to include the effect of curvature of the tubule. The results are then used to derive the phonon dispersion relations for (10,10) BN nanotubes using ‘zone-folding’ method. Calculated phonon modes are in good agreement with the experimental values obtained so far, for (10,10) armchair BN nanotubes.     

First-Principles Study on the Electronic Structures for Y^3＋：PbWO4 Crystals

The possible defect models of Y^3＋：PbWO4 crystals are discussed by defect chemistry and the most possible substituting positions of the impurity Y^3＋ ions are studied by using the general utility lattice program （GULP）. The calculated results indicate that in the lightly doped Y^3＋ ：PWO crystal, the main compensating mechanism is [2Ypb^＋ ＋ VPb^2-], and in the heavily doped Y^3＋ ：PWO crystal, it will bring interstitial oxygen ions to compensate the positive electricity caused by YPb^＋, forming defect clusters of [2Ypb^＋ ＋Oi^2-] in the crystal. The electronic structures of Y3＋ ：PWO with different defect models are calculated using the DV-Xα method. It can be concluded from the electronic structures that, for lightly doped cases, the energy gap of the crystal would be broadened and the 420nm absorption band will be restricted; for heavily doped cases, because of the existence of interstitial oxygen ions, it can bring a new absorption band and reduce the radiation hardness of the crystal.     

Selective spatial localization of the atom displacements in one-dimensional hybrid quasi-regular (Thue-Morse and Rudin-Shapiro)/periodic structures

We have studied the vibrational frequencies and atom displacements of one-dimensional systems formed by combinations of Thue-Morse and Rudin-Shapiro quasi-regular stackings with periodic ones. The materials are described by nearest-neighbor force constants and the corresponding atom masses. These systems exhibit differences in the frequency spectrum as compared to the original simple quasi-regular generations and periodic structures. The most important feature is the presence of separate confinement of the atom displacements in one of the parts forming the total composite structure for different frequency ranges, thus acting as a kind of phononic cavity.     

Orbital-selective Mott-insulator transition in Ca 2 - x Sr x RuO 4

The electronic structures of the metallic and insulating phases of the alloy series Ca_2-xSr_xRuO₄ ( 0 ? x ? 2) are calculated using LDA, LDA+U and Dynamical Mean-Field Approximation methods. In the end members the groundstate respectively is an orbitally non-degenerate antiferromagnetic insulator (x = 0) and a good metal (x = 2). For x > 0.5 the observed Curie-Weiss paramagnetic metallic state which possesses a local moment with the unexpected spin S = 1/2, is explained by the coexistence of localized and itinerant Ru-4d-orbitals. For 0.2 < x < 0.5 we propose a state with partial orbital and spin ordering. An effective model for the localized orbital and spin degrees of freedom is discussed. The metal-insulator transition at x = 0.2 is attributed to a switch in the orbital occupation associated with a structural change of the crystal. Received 27 July 2001     

Ozone production in oxygen by means of F2-laser irradiation at λ=157.6 nm

Ozone is generated in pure oxygen (p5 kPa), synthetic air (p7 kPa) and oxygen-argon mixtures (p3 kPa) by irradiation of these gases with the VUV light of a repetitively pulsed (f _L15 Hz) F₂-laser at =157.6 nm with maximum about 4 mJ/pulse. An absorption photometer measurement operating at 253.7 nm (Hg line) determines the ozone concentration as a function of oxygen and/or additive gas pressure, the repetition frequency of the laser and the wall temperature of the reaction chamber. The temporal development of the ozone concentration as a function of these parameters is calculated by means of rate equations for the species O(³ P), O₂(X ³ _g ^– ), O₃(¹ A ₁), O(¹ D), O₂(a ¹_g), O₂(b ¹ _g ⁺ ) and vibrationally excited O ₃ ^* (¹ A ₁) and the photon distribution. The maximum concentration of O₃ in the sealed-off chamber reaches 1.6% in pure O₂, 4.1% in air and 1.2% in a 1:5 O₂-Ar mixture at 3 kPa. The annihilation of O₃ by the wall and temperature dependent volume processes (300 KT395 K) is studied and the experimental and theoretical results are compared.     

N2 production in e-beam pumped XeF lasers containing NF3

The rate of build-up of N₂ was measured in electron-beam-irradiated Ne/Xe/NF₃ mixtures using mass spectroscopy. the amount of N₂ produced indicated that N₂ is the primary nitrogen bearing stable species created in these mixtures. The rate constant for dissociative electron attachment to the NF₂ fragments produced in electron attachment to NF₃ is estimated to be 5×10^–8 cm³/s in order to explain the amount of N₂ produced.This work was supported by DARPA under Contract No. DAA01-82-C-A125 and monitored by MICOM     

Photoluminescence of Al x Ga1−x As/GaAs quantum well heterostructures grown by molecular beam epitaxy

Nominally undoped Al_xGa_1–xAs grown by molecular beam epitaxy from As₄ species at elevated substrate temperatures of 670°C exhibits well-resolved excitonic fine structure in the low-temperature photoluminescence spectra, if the effective As-to-(Al+Ga) flux ratio on the growth surface is kept within a rather narrow range of clearly As-stabilized conditions. In contrast to previous results on Al_xGa_1–xAs of composition 0.15not to shift in energy by changing the excitation intensity. This implies a simple freeelectron carbon-acceptor recombination mechanism for the line without any participation of a donor. In Al_xGa_1–xAs of composition close to the direct-to-indirect cross-over point, two distinct LO-phonons separated by 34 and 48 meV from the (D ⁰,C ⁰) peak position at x=0.43 were observed which were before only detectable by Raman scattering experiments. The intensity of the carbon-impurity related luminescence lines in bulk-type Al_xGa_1–xAs and GaAs layers was found to be strongly reduced, as compared to the excitonic recombination lines, if the respective active layer was covered by a very thin confinement layer of either GaAs on top of Al_xGa_1–xAs or vice versa grown in the same growth cycle.