Dephasing of quantum tunnelling in molecular nanomagnets

Dephasing mechanism of quantum tunnelling in molecular magnets has been studied by means of the spin-coherentstate path integral in a mean field approximation. It is found that the fluctuating uncompensated transverse field from the dipolar-dipolar interaction between molecular magnets contributes a random phase to the quantum interference phase. The resulting transition rate is determined by the average tunnel splitting over the random phase. Such a dephasing process leads to the suppression of quenching due to the quantum phase interference, and to the steps due to odd resonances in hysteresis loop survived, which is in good agreement with experimental observations in molecular nanomagnets Fes and Mn12.     

Re-research on the size of proto-neutron star in core-collapse supernova

The electron capture timescale may be shorter than hydrodynamic timescale in inner iron core of core-collapse supernova according to a recent new idea. Based on the new idea, this paper carries out a numerical simulation on supernova explosion for the progenitor model Ws15M. The numerical result shows that the size of proto-neutron star has a significant change （decrease about 20%）, which may affects the propagation of the shock wave and the final explosion energy.     

Semiclassical calculation of Rydberg He2^＋ molecular of recurrence spectra ion in a magnetic field

Making use of the molecular closed-orbit theory and a new model potential for the Rydberg molecule, we have calculated the recurrence spectra of He^2＋ molecular ion in a magnetic field for different quantum defects. The Fourier transform spectra of He^2＋ molecular ion may be used to perform a direct comparison between peaks in the spectra and the scaled action values of closed orbits of the excited electron in external fields. We find that the spectral modulations can be analysed in terms of the scattering of the excited electron on the molecular core. Unlike the case of the Rydberg atom where the elastic scattering is predominant, modulations produced by inelastic scattering are also vital to the photoabsorption spectrum of the Rydberg molecule. Our results are in good agreement with the quantum results, which suggests that our method is correct.     

Preparation and luminescence characteristics of Eu^2＋ activated silicate phosphor

This paper synthesizes the Sr2SiO4：Eu^2＋ phosphor by high temperature solid-state reaction. The emission spectrum of Sr2SiO4 ： Eu^2＋ shows two bands centred at 480 and 547 nm, which agree well with the calculation values of emission spectrum, and the location of yellow emission of Sr2SiO4 ： Eu^2＋ is influenced by the Eu^2＋ concentration. The excitation spectrum for 547 nm emission has two bands at 363 and 402 nm. The emission spectrum of white light emitting diodes （w-LEDs） based on Sr2SiO4 ： Eu^2＋ phosphor ＋ InGaN LED was investigated.     

Chemical composition and magnetism of Ag doped LaMnO3

By using a sol-gel clue, a set of polycrystalline perovskite samples La1-xAgxMnO3 with a nominal doping level x ranging from 0.05 to 0.45 has been synthesized. The chemical composition and the magnetism of the samples were investigated. A little Ag was： found seeping from the samples in the sintering process when the doping level exceeded 0.05 and the sintering temperature was higher than 700℃ resulting in the samples being in multiphase. The magnetic transition points of the samples have been found to decrease with increasing sintering temperature. A concentration-dependent Tc similar to that of bivalent metal ion doped perovskite, has been obtained. We believe that the Ag seeping in the sintering process is responsible for those magnetic characteristics.     

Growth of Mn5Ge3 ultrathin film on Ge（111）

The growth of Mn5Ge3 ultrathin films with different thicknesses, prepared by solid phase epitaxy, is studied. The results of scanning tunnelling microscopy and low energy electron diffraction studies show that the film can be formed and it is terminated with a （√3 × √3） R30° surface reconstruction when the thickness of Mn exceeds 3 monolayers. The magnetic properties show that the Curie temperature is about 300 K and the T^2-dependent behaviour is observed to remain up to 220 K.     

Ab initio study of oxygen-vacancy LaAlO3（001） surface

Density functional theory is used to investigate the surface structures and the energies of two possible terminated LaAlO3 （001） surfaces with oxygen vacancies, i.e. LaO- and AlO2-terminated surfaces. The large displacements of ions, deviated from their crystalline sites, can lead to the formation of the surface rumpling. From thermodynamics analysis, the AlO2-terminated surface with oxygen-vacancies is less stable than the LaO-terminated one. Some states in the gap lie under the Fermi level by about -1eV in the LaO-terminated surface with oxygen vacancies. For the AlO2- terminated oxygen-vacancy surface, some O 2p states move into the mid-gap region and become partially unoccupied. The two types of termination surfaces exhibit conduction related to oxygen vacancies. Our results can contribute to the application of LAO films to high dielectric constant materials.     

1-W, high-repetition-rate room temperature operation of mid-infrared optical parametric oscillator based on periodically poled MgO-doped LiNbO

In this paper a high-repetition-rate mid-infrared （mid-IR） optical parametric oscillator based on periodically poled MgO-doped LiNbO3 （PPMgLN） at room temperature was demonstrated. The maximum average mid-IR output power at 3.63μm was 1.02 W with the repetition rate of 60kHz and corresponding efficiency from the pump to the idler was 26.7%. The temperature tuning and the period tuning characteristics were also discussed.     

Vertical rotation effect on turbulence characteristics in an open channel flow

This paper solves the three-dimensional Navier-Stokes equation by a fractional-step method with the Reynolds number Reτ=194 and the rotation number Nτ=0-0.12. When Nτ is less than 0.06, the turbulence statistics relevant to the spanwise velocity fluctuation are enhanced, but other statistics are suppressed. When Nτ is larger than 0.06, all the turbulence statistics decrease significantly. Reynolds stress budgets elucidate that turbulence kinetic energy in the vertical direction is transferred into the streamwise and spanwise directions. The flow structures exhibit that the bursting processes near the bottom wall are ejected toward the free surface. Evident change of near-surface streak structures of the velocity fluctuations are revealed.     

A b initio calculation of the growth of Te nanorods and Bi2Te3 nanoplatelets

In this paper the growth mechanism of a Te/Bi2Te3 novel structure is studied by ab-initio calculations. The results show that the growth of Te nanorods is determined by the adsorption energy of Te atoms on different crystalline Te surfaces. The adsorption energy of Te on the Te （001） surface is 3.29 eV, which is about 0.25 eV higher than that of Te on the Te （110）. This energy difference makes the preferential growth direction along the 〈 001 〉 direction. In addition, the higher surface energy of Bi2Te3 （110） and the lattice misfit between crystalline Bi2We3 and Te along 〈 001 〉 direction are considered to explain the growth of the Bi2Te3 nanoplatelets, in which Volmer-Weber model is used. The theoretical results are in agreement with experimental observation.     

The origin of blue photoluminescence from nc-Si/SiO2 multilayers

Intensive blue photoluminescence （PL） was observed at room temperature from the nanocrystalline-Si/SiO2 （nc-Si/SiO2） multilayers （MLs） obtained by thermal annealing of SiO/SiO2 MLs for the first time. By controlling the size of nc-Si formed in SiO sublayer from 3.5 to 1.5 nm, the PL peak blueshifts from 457 to 411 nm. Combining the analysis of TEM, Raman and absorption measurement, this paper attributes the blue PL to multiple luminescent centres at the interface of nc-Si and SiO2.     

Surface rumples and band gap reductions of cubic BaZrO3 （001） surface studied by means of first-principles calculations

Electronic properties of the （001） surface of cubic BaZrO3 with BaO and ZrO2 terminations have been studied using first-principles calculations. Surface structure, partial density of states, band structure and surface energy have been obtained. We find that the largest relaxation appears in the first layer of atoms, and the relaxation of the BaO-terminated surface is larger than that of the ZrO2-terminated surface. The surface rumpling of the BaO-terminated surface is also larger than that of the ZrO2-terminated surface. Results of surface energy calculations reveal that the BaZrO3 surface is likely to be more stable than the PbZrO3 surface.     

Continuous-wave mid-infrared intracavity singly resonant optical parametric oscillator based on periodically poled lithium niobate

This paper reports a continuous-wave （CW） mid-infrared intracavity singly resonant optical parametric oscillator based on periodically poled lithium niobate （PPLN） pumped by a diode-end-pumped CW Nd：YVO4 laser. Considering the thermal lens effects, it adopted an optical ballast lens and the near-concentric cavity for better operation. At the PPLN＇s grating period of 28.5 μm and the temperature of 140℃, the maximum idler output power of 155 mW at 3.86 μm has been achieved when the 808 nm pump power is 8.5 W, leading to an optical-to-optical conversion efficiency of 1.82%.     

Line intensities of the asymptotic asymmetric-top radical HO2 at high temperatures

The total internal partition sums were calculated in the product approximation at temperatures up to 5000 K for the asymptotic asymmetric-top HO2 molecule. The calculations of the rotational partition function and the vibrational partition function were carried out with the rigid-top model and in the harmonic oscillator approximation, respectively. Our values of the total internal partition sums are consistent with the data of HITRAN database with -0.14% at 296 K. Using the calculated partition functions, we have calculated the line intensities of υ2 band of HO2 at several high temperatures. The results showed that the calculated line intensities are in very good agreement with those of HITRAN database at temperatures up to 3000 K, which provides a strong support for the calculations of partition functions and line intensities at high temperatures. Then we have extended the calculation to higher temperatures. The simulated spectra of υ2 band of the asymptotic asymmetric-top HO2 molecule at 4000 and 5000 K are also obtained.     

Self-organization effect in poly（3-hexylthiophene）： methanofullerenes solar cells

This paper studies the self-organization of the polymer in solar cells based on poly（3-hexylthiophene）： [6, 6]-phenyl C61-butyric acid methyl ester by controlling the growth rate of active layer. These blend films are characterized by UV-vis absorption spectroscopy, charge-transport dark J - V curve, x-ray diffraction pattern curve, and atomic force microscopy. The results indicate that slowing down the drying process of the wet films leads to an enhanced selforganization, which causes an increased hole transport. Increased incident light absorption, higher carrier mobility, and balanced carrier transport in the active layer explain the enhancement in the device performance, the power conversion efficiency of 3.43% and fill factor up to 64.6% are achieved under Air Mass 1.5, 100 mW/cm^2.     

Superconductivity without dependence on valenceelectron density in Zn doped YBCO systems

This paper reports that the YBa2Cu3-xZnxO7-δ （x = 0-0.4） samples are researched by means of x-ray diffraction, calculations of binding energy, the positron experiments and variations of oxygen content. The results of simulated calculations, positron experiments and variations of oxygen content support the existence of cluster effect. Moreover, it is concluded that the cluster effect is an important factor on suppression of high-Tc cuprate superconductivity and the Tc does not depend on the density of valence electron directly.     

Effect of magnetic field on the spin-Peierls transition in single-crystal CuGeO

This paper reports that high quality CuGeO3 single crystals were successfully grown by floating-zone technique and the magnetic property was studied. The temperature dependence of magnetic susceptibility below the spin-Peierls （SP） transition temperature （Tsp） under magnetic fields applying along both the a- and c-axis direction can be fitted well by a model of noninteracting dimmers. The spin gap derived from the fitting is consistent with other reports. There is a very weak anisotropy in the fitting parameters for different directions, which should be expected from a SP system. A small upturn in susceptibility at low temperature due to paramagnetic impurities and/or defects can be observed. A suppression of the upturn by magnetic field is first discovered in this system and the possible origins for this suppression are discussed.     

Theoretical investigation on near-infrared and visible absorption spectra of nanometallic aluminium with oxide coating in nanoenergetic materials: size and shape effects

The effects of metal core dimension, oxide shell thickness and ellipsoid aspect ratio of Al-Al2O3 core-shell nanoparticles on the near-infrared and visible absorption spectra of nanocomposite Al-Al2O3/nitrocellulose（NC） film are investigated by numerical calculations. Both the size-dependent interband transitions and frequency-dependent free electron damping of the nanometallic aluminium are taken into account in the calculations. Oxidation effect of nanoaluminium is also analysed. It is shown that oxidation may enhance but may also reduce the optical absorption, depending on the excited light energy and initial dimension of nanoparticle. Metal core size and excited light energy dominate the absorption characteristic. The absorption ability of ellipsoidal nanoparticles is larger than that of spheroidal nanoparticles and increases by the square index as the aspect ratio increases. These calculations will provide some significant theoretical guidance for the preparation and laser ignition of nanoenergetic materials.     

Capability of Raman lidar for monitoring the variation of atmospheric CO2 profile

Lidar （Light detection and ranging） has special capabilities for remote sensing of many different behaviours of the atmosphere. One of the techniques which show a great deal of promise for several applications is Raman scattering. The detecting capability, including maximum operation range and minimum detectable gas concentration is one of the most significant parameters for lidar remote sensing of pollutants. In this paper, based on the new method for evaluating the capabilities of a Raman lidar system, we present an evaluation of detecting capability of Raman lidar for monitoring atmospheric CO2 in Hefei. Numerical simulations about the influence of atmospheric conditions on lidar detecting capability were carried out, and a conclusion can be drawn that the maximum difference of the operation ranges caused by the weather conditions alone can reach about 0.4 to 0.5km with a measuring precision within 30ppmv. The range of minimum detectable concentration caused by the weather conditions alone can reach about 20 to 35 ppmv in vertical direction for 20000 shots at a distance of 1 km on the assumption that other parameters are kept constant. The other corresponding parameters under different conditions are also given. The capability of Raman lidar operated in vertical direction was found to be superior to that operated in horizontal direction. During practical measurement with the Raman lidar whose hardware components were fixed, aerosol scattering extinction effect would be a significant factor that influenced the capability of Raman lidar. This work may be a valuable reference for lidar system designing, measurement accuracy improving and data processing.     

Extraction of optical constants and thickness of nanometre scale TiO2 film

TiOTiO2 薄膜 沉积物 磁电管喷射系统 X射线 发射光谱TiO₂ thin films, pointwise constrained optimization approach, constrained nonlinear programming, optical constants, parameters extractionProject supported by Shanghai Municipal Commission for Science and Technology (Grant No 03DZ14025) and National Basic Research Program of China (Grant No 2006CB300406).3/4/2005 12:00:00 AM2005-03-042005-07-28TiO2 thin films were deposited on glass substrates by sputtering in a conventional rf magnetron sputtering system. X-ray diffraction pattern and transmission spectrum were measured. The curves of refraction index and extinction coefficient distributions as well as the thickness of films calculated from transmission spectrum were obtained. The optimization problem was also solved using a method based on a constrained nonlinear programming algorithm.