O<Subscript>2</Subscript> photodesorption from a Ag<Subscript>8</Subscript>O<Stack><Subscript>2</Subscript><Superscript>-</Superscript></Stack> cluster

The decay path of an Ag₈(O₂)^- cluster photoexcited by a 3.1 eV photon is elucidated using time-resolved photoelectron spectroscopy. Photoabsorption results in the formation of an excited state giving rise to a peak in the photoelectron spectra with well-resolved vibrational finestructure. With a lifetime of about 100 fs this bound state decays into an anti-bonding state which dissociates into O₂ and Ag₈^- on a timescale of 10 ps. In the photoelectron spectra, this corresponds to a broad maximum shifting gradually towards higher binding energy while the O₂ and Ag₈^- separate. Finally, the spectrum of bare Ag₈^- appears. This process is unique to small clusters, because on metal surfaces excited state lifetimes are too short to allow for direct dissociation.     

Improvement of the intergranular pinning energy in uniaxially compacting (Bi-Pb)<Subscript>2</Subscript>Sr<Subscript>2</Subscript>Ca<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>10+δ</Subscript> ceramic samples

Measurements of the electrical resistivity as a function of temperature, ρ(T), for different values of applied magnetic field, B_a (0 ≤ B_a ≤ 50 mT), were performed in polycrystalline samples of Bi_1.65Pb_0.35Sr₂Ca₂ Cu₃O_10+δ subjected to different uniaxial compacting pressure (UCP). We have found appreciable differences in the grain orientation between samples by using X-ray diffractometry. From the X-ray diffraction patterns performed, in powder and pellet samples, we have estimated the Lotgering factor along the (00l) direction, F_(00l). The results indicate that F_(00l) increases ~23% with increasing UCP suggesting that grains of these samples are preferentially aligned along the c-axis, which is parallel to the compacting direction. The resistive transition of the samples have been interpreted in terms of the thermally activated flux-creep model. In addition, the effective intergranular pinning energy, U₀, have been determined for different applied magnetic field. The magnetic field dependence of U₀, for B_a > 8 mT, was found to follow a H^{- α} dependence with α = 0.5 for all samples. The analysis of the experimental data strongly suggested that increasing UCP results in appreciable changes in both the grain alignment and the grain connectivity of the samples. We have successfully interpreted the data by considering the existence of three different superconducting levels within the samples: the superconducting grains, the weak-links, and the superconducting clusters.     

Experimental lifetime of some level belonging to the 5p46d configuration of XeII

Lifetimes of eight levels belonging to the 5p⁴6d configuration of singly ionized xenon have been measured by high frequency deflection technique with a delayed coincidence single photon counting arrangement. The results have been compared with other experimental and theoretical values. The lifetimes of the 6d ²F_3/2 and 6d ⁴F_3/2 levels have been measured for the first time.     

Microwave surface resistance of pristine and neutron-irradiated MgB<Subscript>2</Subscript> samples in magnetic field

We report on the microwave surface resistance of two polycrystalline Mg¹¹ B₂ samples; one consists of pristine material, the other has been irradiated at very high neutron fluence. It has already been reported that in the strongly irradiated sample the two gaps merge into a single value. The mw surface resistance has been measured in the linear regime as a function of the temperature and the DC magnetic field, at increasing and decreasing fields. The results obtained in the strongly irradiated sample are quite well justified in the framework of a generalized Coffey and Clem model, in which we take into account the field distribution inside the sample due to the critical state. The results obtained in the pristine sample show several anomalies, especially at low temperatures, which cannot be justified in the framework of standard models for the fluxon dynamics. Only at temperatures near T_c and for magnetic fields greater than 0.5H_c2(T) the experimental data can quantitatively be accounted for by the Coffey and Clem model, provided that the upper-critical-field anisotropy is taken into due account.     

Deposition and stoichiometry control of Nd-doped gadolinium gallium garnet thin films by combinatorial pulsed laser deposition using two targets of Nd:Gd<Subscript>3</Subscript>Ga<Subscript>5</Subscript>O<Subscript>12</Subscript> and Ga<Subscript>2</Subscript>O<Subscript>3</Subscript>

We have demonstrated pulsed laser deposition of Nd-doped gadolinium gallium garnet on Y₃Al₅O₁₂ by the simultaneous ablation of two separate targets of Nd:Gd₃Ga₅O₁₂ (GGG) and Ga₂O₃. Such an approach is of interest as a method of achieving stoichiometry control over films whilst the growth parameters are kept constant and optimal for high quality crystal growth. We show here how the stoichiometry and resultant lattice parameter of a film can be controlled by changing the relative deposition rates from the two targets. Films have been grown with enough extra Ga to compensate for the deficiency that commonly occurs when depositing only from a GGG target. We have also grown crystalline GGG films with an enriched Ga concentration, and this unconventional approach to film stoichiometry control may have potential applications in the fabrication of films with advanced compositionally graded structures.     

Magneto-elastic properties of Tb<Subscript>3</Subscript>Ga<Subscript>5</Subscript>O<Subscript>12</Subscript> (TGG)

The temperature dependence of the elastic constants in Tb₃Ga₅O₁₂ was measured and analysed with a simple crystal field model. The magneto-elastic coupling constants have been deduced from this experiment. The coupling constant g_Γ5, related to the c₄₄ mode, is anomalously large. These coupling constants are important for the interpretation of the phonon Hall effect.     

Magnetic susceptibility in quasi one-dimensional Ba<Subscript>a2</Subscript>V<Subscript>3</Subscript>O<Subscript>9</Subscript>: chain segmentation versus the staggered field effect

A pronounced Curie-like upturn of the magnetic susceptibility χ( T ) of the quasi one-dimensional spin chain compound Ba₂V₃O₉ has been found recently [#!kaul:02!#]. Frequently this is taken as a signature for a staggered field mechanism due to the presence of g-factor anisotropy and Dzyaloshinskii-Moriya interaction. We calculate this contribution within a realistic structure of vanadium 3 d- and oxygen 2 p-orbitals and conclude that this mechanism is far too small to explain experimental results. We propose that the Curie term is rather due to a segmentation of spin chains caused by broken magnetic bonds which leads to uncompensated S = ? spins of segments with odd numbers of spins. Using the finite-temperature Lanczos method we calculate their effective moment and show that ∼ 1% of broken magnetic bonds is sufficient to reproduce the anomalous low-T behavior of χ( T ) in Ba₂V₃O₉. Received 19 December 2002 / Received in final form 29 January 2003 Published online 14 March 2003     

First-principles investigation of electronic and optical properties in wurtzite Zn<Subscript>1-x</Subscript>Mg<Subscript>x</Subscript>O

A first-principles study has been performed to evaluate the electronic and optical properties of wurtzite Zn_1-xMg_xO. Substitutional doping is considered with Mg concentrations of x = 0, 0.0625, 0.125, 0.1875 and 0.25, respectively. Mg incorporation can induce band gap widening due to the decrease of Zn 4s states. The imaginary part of the dielectric function shows that the optical transition from band edge emission decreases slightly with increasing Mg contents. The optical band gap also increases from 3.2 to 3.7 eV with increasing Mg contents from 0.0625 to 0.25. The calculated results suggest that relatively high Mg concentration is necessary for effective band gap engineering of wurtzite Zn_1-xMg_xO.     

Magnetic properties of DyNi<Subscript>2</Subscript>B<Subscript>2</Subscript>C studied with a two-ion model for antiferromagnets

In a rare-earth antiferromagnet, two neighboring magnetic ions order spontaneously in opposite directions below the Néel temperature. Especially when it is placed in an external magnetic field, the two magnetic ions react to the field in different ways, so that they usually have different magnitudes and orientations below the magnetic transition temperature. Therefore, to describe the magnetic structure of an antiferromagnet, the single-ion ferromagnetic-like model is inadequate. To solve this problem, a two-ion model for rare-earth antiferromagnets is proposed and used in this work to investigate the magnetic properties of DyNi₂B₂C. The magnetic susceptibility curves obtained with this model show good agreements with experimental data.     

Room-temperature diode-pumped Yb<Superscript>3+</Superscript>-doped LiYF<Subscript>4</Subscript> and KYF<Subscript>4</Subscript> lasers

We present a comparative analysis on the growth, the spectroscopic features, and the cw laser action of room-temperature Yb(5%):LiYF₄ (YLF) and Yb(10%):KYF₄ (KYF) crystals. Optical slope efficiencies of 33% and 52% have been demonstrated for Yb:YLF and Yb:KYF crystals, respectively. A remarkable wide wavelength tunability from 1.01 to 1.07 μm has been obtained for both laser crystals.     

Ab initio study on elastic and thermodynamical properties of Ti<Subscript>1-x</Subscript>Zr<Subscript>x</Subscript>C

Elastic and Thermodynamical properties of Ti_1-xZr_xC have been investigated using LAPW + lo within the density-functional theory with the generalized gradient approximation. We have studied the stability of the alloy Ti_1-xZr_xC as a function of Zr composition in rocksalt (B1) structure by calculating the elastic constants C₁₁, C₁₂ and C₄₄ using the tetragonal and trigonal distortions. Mechanical properties such as Poisson ratio, bulk, shear and Young’s modulii of Ti_1-xZr_xC are calculated. The Debye temperature and hardness are also computed for the first time to our knowledge for Ti_1-xZr_xC in various compositions.     

Photophysics of C<Subscript>60</Subscript> and C<Subscript><Emphasis Type="Bold">60</Emphasis></Subscript><Superscript><Emphasis Type="Bold">-</Emphasis></Superscript> in faujasite zeolites

While the intercalation of C₆₀ and the formation of C ₆₀ ^- in the supercages of NaX and NaY are confirmed by using ¹²⁹Xe NMR and ESR, the photophysical properties of C₆₀ and C ₆₀ ^- are characterized by monitoring transient reflectance spectra and kinetics, fluorescence kinetics, and diffuse reflectance spectra. C ₆₀ ^- is considerably more abundant in NaY than in NaX. This difference is explained in terms of polarity difference between two zeolites. Both C₆₀ and C ₆₀ ^- have remarkably elongated excited-state lifetimes due to their collision-free environment in zeolitic nanocavities although C ₆₀ ^- has much shorter lifetimes than C₆₀. C ₆₀ ^- , in particular, shows intense absorption and emission due to its reduced symmetry in zeolites. Received 13 July 2001 and Received in final form 8 October 2001     

High pressure study of the organic compound (TMTTF)<Subscript>2</Subscript>BF<Subscript>4</Subscript>

High pressure resistivity measurements of the organic compound (TMTTF)₂BF₄ have been performed in a newly developped Bridgman cell providing good pressure conditions on a wide pressure range. For the first time in this compound a zero resistance superconducting state is observed between 3 and 4 GPa. At temperatures above the superconducting transition, the resistivities of the two high quality samples show a different behavior. One sample, provides indications for a magnetic quantum critical point at the maximum of T_c, whereas in the other antiferromagnetic spin-fluctuations are present above T_c.     

Structural transformation of MoO<Subscript>3</Subscript> nanobelts into MoS<Subscript>2</Subscript> nanotubes

The structural transformation of MoO₃ nanobelts into MoS₂ nanotubes using a simple sulfur source has been reported. This transformation has been extensively investigated using electron microscopic and spectroscopic techniques including scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), electron diffraction (ED), and energy-dispersive X-ray analysis (SEM-EDAX and TEM-EDX). The method described in this report will serve as a generic route for the transformation of other oxide nanostructures into the chalcogenide nanostructures.     

Imaging performance and light emission efficiency of Lu<Subscript>2</Subscript> SiO<Subscript>5</Subscript>:Ce (LSO:Ce) powder scintillator under X-ray mammographic conditions

The aim of the present study was to measure the imaging transfer characteristics and the luminescence efficiency (XLE) of a Lu₂SiO₅:Ce (LSO:Ce) powder scintillator for use in X-ray mammography detectors. An LSO:Ce powder scintillating screen, with a coating thickness of 25 mg/cm², was prepared in our laboratory. The imaging performance of the screen was assessed by experimental determination of the modulation transfer function (MTF) and the detective quantum efficiency (DQE) as well as single index image quality parameters such as noise equivalent pass band (Ne) and informational efficiency (n _I). A theoretical model, describing radiation and light transfer, was fitted to experimental MTF values in order to estimate optical properties of the scintillator. Screen irradiation was performed under exposure conditions employed in mammographic applications (27 kVp, 63 mAs). MTF was determined by the square wave response function (SWRF) method. Results showed that LSO:Ce exhibits high MTF and DQE values, which are comparable to those of the commercially used Gd₂O₂S:Tb. Considering our image quality parameters and luminescence efficiency results as well as the fast response of the LSO:Ce scintillator screen (40 ns), this material can be considered for use in X-ray mammographic detectors.     

Effect of tetragonal lattice distortion of Co<Subscript>70</Subscript>Fe<Subscript>30</Subscript> on the tunneling magnetoresistance of AlO<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> based magnetic tunnel junction

The tunneling magnetoresistance of Co₇₀Fe₃₀/AlO _x /Co₇₀Fe₃₀ magnetic tunnel junctions with epitaxial bottom electrode annealed at different temperatures was studied. The TMR was significantly enhanced when the bottom electrodes were annealed at 300°C and above. The interface roughness, barrier width and height are almost identical within the experimental uncertainty. However, high resolution reciprocal space mapping studies showed that the lattice distortion of the epitaxial bottom electrodes from body centered cubic to body centered tetragonal had the same trend as the TMR. The tetragonal lattice distortion is attributed to be the dominant factor for this spin polarization enhancement.     

The characteristics for H<Subscript> 2</Subscript><Superscript> +</Superscript>-like impurities confined by spherical quantum dots

The energy spectra of H₂ ⁺-like impurities confined in finite spherical quantum dots have been calculated as a function of the distance between nuclear with different sizes on the basis of effective-mass approximation by linear variational method. B-splines have been used as basis functions, which can easily construct the trial wavefunctions with appropriate boundary and cusp conditions. The quantitative analyses of the partial wave weights for ground state and some low lying states have been done.     

DFT investigation on the structures and stabilities of exohedral derivatives for D<Subscript>3</Subscript> C<Subscript>32</Subscript> fullerene: C<Subscript>32</Subscript>X<Subscript>n</Subscript> (X = H and Cl)

A systematic investigation of D₃ C₃₂ fullerene and its derivatives C₃₂X_n (X = H and Cl) has been performed using B3LYP/6-31G(d) method based on the density functional theory. The geometry structures, reaction energies, relative stabilities, and electronic properties have been studied. By investigating the possible C₃₂X_n (X = H and Cl) molecules, C₃₂H₂ and C₃₂Cl₂ behave more thermodynamically accessible with respect to other derivatives. The frontier molecular orbitals and electronic density of states calculations of C₃₂X₂ system indicate that H and Cl passivation have less contribution to the electronic structures, but significantly improve the stability of D₃ C₃₂ fullerene. Finally, the ¹³C NMR chemical shifts of C₃₂H₂ and C₃₂Cl₂ have been simulated to provide helpful information for further experiment identification.     

Structural characteristics of a single-crystalline Sr<Subscript>0.75</Subscript>Ba<Subscript>0.25</Subscript>NbO<Subscript>3</Subscript> electro-optic material

Sr_0.75Ba_0.25NbO₃ (SBN-75) has the tungsten-bronze structure with a tetragonal unit cell and exhibits electro-optic properties that are important for sensors. Due to its quaternary nature, its structural uniformity, integrity, and homogeneity become important for these applications. In this paper, we present high-resolution X-ray diffraction studies of the crystalline quality and lattice parameter variation across the surface of single crystals of SBN-75. Using rocking curves, topographs, and point-wise measurements of lattice parameters, we show that these crystals have a high degree of crystalline quality and microscopic homogeneity for any electro-optic application.