Structures,stabilities and adsorption mechanisms of nitrogen adsorbed on Mon (n = 1–8) clusters

Configurations, stabilities and adsorption mechanisms of ground-state Mo_nN and Mo_nN₂ (n?=?1–8) clusters are calculated by using the density functional method within the PBE level. Evidently, N atoms tend to approach more Mo atoms. Doping with two N impurity prefers to occupy symmetrical position of the host Mo_n (n?=?1–8) cluster except for Mo₂N₂ clusters. Mo₄N, Mo₆N, Mo₂N₂, Mo₄N₂ and Mo₆N₂ clusters have higher structural stabilities than their neighbors by the second derivative of total binding energy. Mo₂N, Mo₄N and Mo₇N, Mo₂N₂, Mo₅N₂ and Mo₇N₂ clusters have higher kinetic reactivity than their neighbors by the HOMO–LUMO gaps. The adsorption capacity of a N atom to Mo₄ cluster is stronger than the other Mo–N clusters.     

Synthesis and Raman analysis of 1D-ZnO nanostructure via vapor phase growth

1D-nanostructural zinc oxide (ZnO) with different shapes have been synthesized on p-type Si(1 0 0) and glass substrates via vapor phase growth by heating pure zinc powder at temperatures between 480 and 570 °C. The different ZnO nanostructures depend on the substrates and the growth temperatures. Scanning electron microscopy and X-ray diffraction revealed that a well-aligned nanowires array, which are vertical to the substrate of Si(1 0 0) with 18 sides on their heads, but six sides on their stems, has been formed at 480 °C. Raman study on the ZnO nanostructures shows that the coupling strength between electron and phonon determined by the ratio of the second- to the first-order Raman scattering cross-sections declines with decreasing diameter of the nanowires. However, a little changes of the coupling strength in terms of the width of the nanobelts have been observed.     

Structural, magnetic and transport properties of double perovskite compounds (Sr2−3xLa2xBax)FeMoO6

The crystal structure and magnetic properties of a series of ordered double perovskite oxides (Sr_2−3xLa_2xBa_x)FeMoO₆ (0x0.3) have been investigated. X-ray powder diffraction reveals that the crystal structure of the compounds changes from a tetragonal I4/m lattice to a cubic lattice around x=0.2. Though the nominal average size of the A site cation of (Sr_2−3xLa_2xBa_x)FeMoO₆ is designed to be almost independent of x, the refinements of the crystal structure show that the lattice constants increase with x in both the tetragonal and the cubic phase regions due to electron doping. As the x increases, the degree of cationic ordering on the B site is decreased pronouncedly, while the Curie temperature of the compounds is nearly unchanged. The saturation magnetization of the compounds decreases with x and shows a linear dependence on the degree of cation ordering. The resistivity of the parent compound shows a semiconducting behavior below room temperature, but those of the doped samples exhibit a metal–semiconductor transition. A correlation between the resistivity and metal-semiconducting transition temperature (T_M−S) is observed. The resistivity and T_M−S of the compounds decrease with x for x0.2 and increase for x0.2. Magnetoresistance of the compounds is reduced by the La/Ba doping. All these observations can be understood based on the interplay of the electron doping, change in bandwidth and the anti-site defect concentration.     

Interfacial structure and electrical properties of LaAlO3 gate dielectric films on Si by metalorganic chemical vapor deposition

LaAlO₃ (LAO) gate dielectric films were deposited on Si substrates by low-pressure metalorganic chemical vapor deposition. The interfacial structure and composition distribution were investigated by high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), secondary-ion mass spectroscopy (SIMS), and Auger-electron spectroscopy (AES). HRTEM confirms that there exists an interfacial layer between LAO and Si in most samples. AES, SIMS, and XPS analyses indicate that the interfacial layer is compositionally graded La–Al silicate and the Al element is severely deficient close to the Si surface. Electrical properties of LAO films were evaluated. No evident difference in electrical properties between samples with and without native SiO₂ layers was observed. The electrical properties are discussed in terms of LAO growth mechanisms, in relation to the interfacial structure. PACS 73.40.Qv; 81.15.Gh; 77.55.+f; 68.35.-p     

Studies of ion energy and yield from argon clusters heated by intense femtosecond laser pulses

Using time-of-flight spectrometry, the interaction of intense femtosecond laser pulses with argon clusters has been studied by measuring the energy and yield of emitted ions. With two different supersonic nozzles, the dependence of average ion energy on cluster size in a large range of has been measured. The experimental results indicate that when the cluster size , the average ion energy Coulomb explosion is the dominant expansion mechanism. Beyond this size, the average ion energy gets saturated gradually, the clusters exhibit a mixed Coulomb-hydrodynamic expansion behavior. We also find that with the increasing gas backing pressure, there is a maximum ion yield, the ion yield decreases as the gas backing pressure is further increased.     

Electron-beam poling in undoped, N- or Ge-doped MDECR H:SiO2 films

Amorphous N- or Ge-doped H:SiO₂ films deposited on silica by the matrix distributed electron cyclotron resonance-PECVD method were irradiated by an electron-beam with different doses in order to pole the material and induce second harmonic generation (SHG). SHG was measured using the Maker-fringe method. When irradiated at an acceleration voltage of 25 kV, an incident current of 5 nA during 480 s, the N-doped H:SiO₂ films exhibited a maximum second harmonic signal in the order of 0.003 pm/V, but when irradiated with an acceleration voltage of 30 kV, at 5 nA during 240 s, the films exhibited a maximum second harmonic signal of 0.006 pm/V. With a smaller current of 0.5 nA during 25 s and 25 kV acceleration voltage, the Ge-doped H:SiO₂ films (3.8 at. % Ge) showed a maximum second-order nonlinearity of 0.0005 pm/V. But an H:SiO₂ films with a smaller Ge content (1.0 at. % Ge), showed a large SHG: d₃₃=0.09 pm/V when irradiated at 25 kV, 0.5 nA during 15 s. PACS 78.66.J; 42.65.K; 68.60.D     

The influence of hydrogen on the growth of gallium catalyzed silicon oxide nanowires

In this paper, we report that amorphous silicon oxide nanowires can be grown in a large quantity by chemical vapor deposition with molten gallium as the catalyst in a flow of mixture of SiH₄, H₂ and N₂ at 600 °C. Meanwhile, when we grow these nanowires under the same conditions but without H₂, octopus-like silicon oxide nanostructures are obtained. The reasons and mechanisms for the growth of these nanowires and nanostructures are discussed. Blue light emission is observed from SiO_x nanowires, which can be attributed to defect centers of high oxygen deficiency. These SiO_x nanowires may find applications in nanodevices and reinforcing composites.     

Generalized diffusion solution for light scattering from anisotropic sources

The traditional diffusion theory, often used for isotropic sources, becomes inaccurate at short source-detector spacings and cannot be applied to media with large absorption or with small scattering strengths. We show that for any type of source anisotropy, a Green's-function-based procedure can remove these limitations. The accuracy of the new approach is examined through a comparison with the numerical solution to the radiative transfer equation.     

Attenuation of interfacial pinning enhancement in YBCO using a PrBCO buffer layer

Numerous experimental results have suggested that the J_c of YBa₂Cu₃O₇ (YBCO) films is significantly higher near the film–substrate interface than in the remainder of the film. We previously proposed that this effect is due to interfacial pinning enhancement caused by stress and the resulting misfit dislocations at the heteroepitaxial interface. To test this hypothesis we have used a non-superconducting PrBa₂Cu₃O_7?δ (PrBCO) buffer layer to minimize the lattice mismatch with YBCO. We find that the PrBCO layers lower J_c of the 0.4 μm YBCO films in a predictable way, and that, if sufficiently thick (～0.5 μm), they eliminate interfacial enhancement altogether. Our interpretation of this result is that the defects responsible for interfacial enhancement of flux pinning originate at the bottom of the non-superconducting PrBCO layer, which screens the pinning centers from vortices in YBCO. This result demonstrates that the pinning enhancement arises from stress at the film–substrate interface.     

Dissipative Nonlinear Evolution Equations and Chaos

In this article we have studied the nonlinear interaction between ellipticity and dissipation in a set of model equations (1.1) and established the relation between this interaction and chaos. In addition to theoretical investigations, extensive numerical simulations with these equations have been made, and different routes to chaos have been found. The numerical studies have revealed the chaotic nature of the solutions.