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.     

Exploring magnetic properties of ultrathin epitaxial magnetic structures using magneto-optical techniques

We describe magneto-optic Kerr effect studies of ultrathin Fe and Ni films on single crystal surfaces of Ag and Cu. Monolayer Fe films on Ag(100) exhibit the theoretically predicted spin-orbit anisotropy, but also yield some interesting discrepancies between behavior predicted by Kerr effect and by spin-polarized photoemission experiments. Layer-dependent studies of the magnetic moment of Ni on Ag(111) and Ag(100) suggest sp-d hybridization effects quench the first layer magnetic moment on Ag(111) but not on Ag(100). Temperature dependent studies of thin film magnetization obtained from Kerr effect measurements yield thickness dependent Curie temperatures, and critical exponents for several thin film systems.     

Li2O-B2O3-P2O5系统非晶态混合骨架效应的NMR研究

用核磁共振对非晶态中B³⁺离子的微观结构进行了测定,结合Raman光谱的研究,对Li₂O-B₂O₃-P₂O₅系统非晶态的性能(电导率、密度等)在P₂O₅/B₂O₃比约等于1时产生极值的原因从理论上作了阐明。     

Pascal矩阵与Vandermonde矩阵的关系

EI-Mikkawy M证明了对称Pascal矩阵Q_n和Vlandermonde矩阵V_n之间满足矩阵方程Q_n=T_nV_n,这里T_n是一个随机矩阵。本文证明了随机矩阵T_n能够分解成第一类Stirling矩阵和对角矩阵的乘积,得到了矩阵T_n的元素之间的递推关系,从而回答了EI-Mikkawy M的一个公开问题。同时得到了一些与Stirling数相关的组合恒等式。     

Electronic structure of CeAl2 thin films studied by X-ray absorption spectroscopy

We report X-ray absorption near edge structures (XANES) study of CeAl₂ thin films of various thicknesses, 40-120 nm, at Al K- and Ce L₃-edges. The threshold of the absorption features at the Al K-edge shifts to the higher photon energy side as film thickness decreases, implying a decreased in Al p-orbital charges. On the other hand, from Ce L₃-edge spectra, we observed a decrease in the 5d4f occupancy as the surface-to-bulk ratio increases. The valence of Ce in these thin films, as revealed by the Ce L₃-edge spectral results, is mainly trivalent. From a more detailed analysis we found a small amount of Ce⁴⁺ contribution, which increases with decreasing film thickness. Our results indicate that the surface-to-bulk ratio is the key factor which affects the electronic structure of CeAl₂ thin films. The above observations also suggest that charge transfer from Al to Ce is associated with the decrease of the film thickness.     

Magnetic and magneto-optical properties of CoFeCrSiB amorphous ribbons

In this paper we investigate the surface magnetic properties of as-quenched (AQ) CoFeCrBSi ribbons prepared by planar flow casting method with using magneto-optic Kerr effect (MOKE). Measured hysteresis loops in longitudinal and transversal configurations enable us to obtain the information of ribbons surface magnetic properties. Moreover, we suggest new magneto-optic method, which is based on measurements of magneto-optical effects depending on DC current flowing through the ribbon. Experimental data of AQ ribbons are then compared with the model, which describes the influence of incidence angle on magneto-optical angles.     

Structural characterization and ferromagnetic behavior of Fe-doped TiO2 powder by high-energy ball milling

Fe-doped TiO₂ powder was prepared by high-energy ball milling, using TiO₂ Degussa P-25 and α-Fe powders as the starting materials. The structure and magnetic properties of the Fe-doped TiO₂ powder were studied by X-ray diffraction, ⁵⁷Fe Mossbauer spectroscopy and vibrating sample magnetometer. The Reitveld refinement of XRD revealed that ball milling not only triggered incorporation of Fe in TiO₂ lattice but also induced the phase transformation from anatase to rutile in TiO₂ and consequently the milled Fe-doped TiO₂ powder contained only rutile.⁵⁷Fe Mössbauer effect measure showed that Fe atoms existed in Fe²⁺ and Fe³⁺ state, which were assigned to the solid solution Fe_xTi_1−xO₂. The magnetization measurements indicated that the milled Fe-doped TiO₂ powder was ferromagnetic above room temperature. The ferromagnetism in our milled Fe-doped TiO₂ powder seemingly does not come from Fe and iron oxides particles/clusters but from the Fe-doped TiO₂ powder matrices.     

DRIFTS study of surface reactivity to NO2 by zinc nanoparticle aggregates and zinc hollow nanofibers

Zinc nanostructures synthesized with different morphologies from the same evaporation/condensation technique are studied with concern to surface reactivity to NO₂ by Diffuse Reflectance Infrared Fourier Transformed Spectroscopy (DRIFTS). Synthesis of nanopowders is obtained, according to previous work, by gas flow thermal evaporation at 540 °C of bulk Zn grains. Two types of Zn powders are obtained and studied in experiments. The first one is collected on the cold walls of the reactor as a deposit produced by thermophoretic effect. It is constituted by grains (∼10 μm) originated by the stratification of smaller aggregates (∼200 nm) and isolated primary particles (∼50 nm) born in the gas flow. The second type of powder is grown from the condensation of Zn chemical vapors within the expansion orifice of the quartz reactor after relatively long time (∼1 h) deposition process. It is constituted mainly by hollow Zn nanofibers with external and internal diameter about 100 and 60 nm. Preliminary characterization of the two types of powders is made by SEM, TEM, XRD. Thereafter, the two types of samples are studied by DRIFTS at variable temperature (VT). Comparison is made between the home-synthesized nanopowders with respect to commercial Zn standard dust. The Zn hollow nanofibers when exposed to NO₂ are found to exhibit dramatic reactivity, which is not observed at all either in the case of clustered aggregate zinc or of commercial Zn dust powders. Results indicate that, at increasing temperature from RT to 300 °C, the hollow nanofibers surface reacts distinctively with adsorbant gas NO₂, with contemporary formation of a progressively growing narrow absorption band at 2500 cm⁻¹ and contemporary depression of a doublet (∼1600-1628 cm⁻¹) band. In order to justify this striking spectral feature, we propose the occurring of a possible polymerization process at nanofibers surface where most probably as a consequence of pre-treatment and exposure to gas NO₂ a very thin film of ZnO is formed. The possible role of huge specific surface of hollow nanofibers as inferred by preliminary SEM, TEM, XRD studies is discussed.     

Structural,magnetic and Mössbauer spectral studies of nanosize aluminum substituted nickel zinc ferrites

Nanosize aluminum substituted nickel zinc ferrites were prepared through aerosol route and characterized using TEM, XRD, magnetic measurements and Mössbauer spectroscopy. The particle size of as obtained samples was found to be ∼10 nm which increases up to ∼85 nm upon annealing at 1200 °C. The unit cell parameter ‘a’ decreases linearly with concentration of aluminum due to the small ionic radius of aluminum. The saturation magnetization for all the samples after annealing at 1200 °C lies in the range 12.9–72.6 emu/g and decreases linearly with concentration of aluminum. Room temperature Mössbauer spectra of all as obtained samples of ferrite compositions exhibited a broad doublet suggesting super paramagnetic nature. This doublet is further resolved into two doublets and assigned to the surface region and internal region atoms of the particles. The samples annealed at 1200 °C show broad sextets, which were fitted with five sextets, indicating different local environment of both tetrahedrally and octahedrally coordinated Fe cation.     

Effect of Incident Intensity on Films Growth in Pulsed Laser Deposition

Incident intensity, defined by the amount of particles deposited per pulse, is an important parameter in the film growth process of pulsed laser deposition （PLD）. Different from previous models, we investigate the irreversible and reversible growth processes by using a kinetic Monte Carlo method and find that island density and film morphology strongly depend on pulse intensity. At higher pulse intensities, lots of adatoms instantaneously diffuse on the substrate surface, and then nucleation easily occurs between the moving adatoms resulting in more smaller-size islands. In contrast, at the lower pulse intensities, nucleation event occurs preferentially between the single adatom and existing islands rather than forming new islands, and therefore the average island size becomes larger in this case. Additionally, our results show that substrate temperature plays an important role in film growth. In particular, it can determine the films shape and weaken the effect of pulse intensity on film growth at the lower temperatures by controlling the mobility rate of atoms. Our results can match the related theoretical and experimental results.