Static anisotropic and isotropic electric dipole polarizabilities of Na n F n-1 clusters

Recently, electric susceptibilities of Na_nF_n-1 clusters have been measured by deflecting a molecular beam in an inhomogeneous electric field. The analysis of the deflection of a cluster by the electric field needs the calculation of the electric properties. We present the calculation of the static anisotropic and average dipolar polarizabilities within a model in which the Na_nF_n-1 clusters ( 2 n 23) are treated as one electron embedded in the field of n ions Na⁺ and of n - 1 ions F^-. The accuracy of the results is evaluated and discussed on small clusters (n 5) in comparison with ab initio calculations. The relationship between the polarizabilities, the electronic localization and the geometric structure is discussed. Received 10 September 2002 Published online 3 July 2003     

Distribution of Particles Which Produces a “Smart” Material

If A _q(β, α, k) is the scattering amplitude, corresponding to a potential , where D⊂ℝ³ is a bounded domain, and is the incident plane wave, then we call the radiation pattern the function , where the unit vector α, the incident direction, is fixed, β is the unit vector in the direction of the scattered wave, and k>0, the wavenumber, is fixed. It is shown that any function , where S ² is the unit sphere in ℝ³, can be approximated with any desired accuracy by a radiation pattern: , where ∊ >0 is an arbitrary small fixed number. The potential q, corresponding to A(β), depends on f and ∊, and can be calculated analytically. There is a one-to-one correspondence between the above potential and the density of the number of small acoustically soft particles D _m⊂ D, 1≤ m≤ M, distributed in an a priori given bounded domain D⊂ℝ³. The geometrical shape of a small particle D _m is arbitrary, the boundary S _m of D _m is Lipschitz uniformly with respect to m. The wave number k and the direction α of the incident upon D plane wave are fixed. It is shown that a suitable distribution of the above particles in D can produce the scattering amplitude , at a fixed k>0, arbitrarily close in the norm of L ²(S ²× S ²) to an arbitrary given scattering amplitude f(α ', α), corresponding to a real-valued potential q∊ L ²(D), i.e., corresponding to an arbitrary refraction coefficient in D. MSC: 35J05, 35J10, 70F10, 74J25, 81U40, 81V05, 35R30. PACS: 03.04.Kf.     

Homoepitaxy of ZnO by pulsed‐laser deposition

ZnO thin films were grown homoepitaxially on O‐face ZnO single crystals by pulsed‐laser deposition. The ZnO substrates grown by the hydrothermal method were heat‐treated in oxygen ambient at 1000 °C for 2 h prior to deposition. After the thermal treatment the substrates show bilayer steps between 200–400 nm wide terraces and a considerably improved crystalline structure. Thin film surfaces exhibit closed loop spirals and show steps of c /2 or c. The FWHM of the (0002) rocking curve of the best sample is 29″. Similar to the substrates used, Al is contained in the thin films (<10¹⁴ cm^–3) as photoluminescence (PL) and thermal admittance spectroscopy suggest. However, deep levels between 200 and 400 meV below the conduction band are the dominant donors at room temperature. Low temperature PL is dominated by (Al⁰,X) (I6, FWHM: 200 µeV) and extremely homogeneous (σ ≈ 1%).

     

Study of (Al2O3)n(Ox) clusters with n = 16 and x = 0, 1, 2 from first principles calculations

The ionic and electronic structure of (Al₂O₃)_n(O_x) clusters with n 16 and x = 0, 1, 2 is studied by means of first principles density functional calculations, norm-conserving pseudopotentials and a numerical atomic basis set. The equilibrium geometries have been determined by total energy minimization, starting with several initial geometries for each cluster size. The trends obtained for the atomic arrangements (structural isomers, coordination numbers, disordered versus ordered structures, etc.) and the electronic properties (binding energies, Homo-Lumo gap and dipole moments) are discussed. For most of the oxidized clusters studied here we find that the Homo-Lumo gap and the magnitude of dipole moment of isomeric species can vary drastically.     

Anisotropic magnetoresistance in thin inhomogeneous gold films

We investigate the magnetoresistance (MR) of thininhomogeneous gold films applying the magnetic field perpendicular as well as parallel to the film plane. The MR-data show a strong anisotropy which can be well explained within the theory of weak electron localization (WEL) in 2d for both field orientations. The important results is that fitting the MR-data for both orientations by the corresponding theoretical expressions we obtain nearly identical values for the phase coherence lengthsL and its temperature dependence. This confirms (i) the correctness of the fitting process and (ii) the validity of the theory. From this we conclude that WEL in 2d can also be used to describe the MR ofinhomogeneous films.     

Y1Ba2Cu3O7-δ thin films from KrF laser ablation with substrate heating and in situ patterning by CO2 laser radiation

Y₁Ba₂Cu₃O_7– thin films were deposited by KrF laser ablation while replacing conventional contact heating by cw CO₂ laser irradiation of the substrate front surface. The HTSC films obtained on (100)ZrO₂ showed T _c(R=0)=90 K, T(90–10%)=0.5 K, j _c=2.5 × 10⁶ A/cm², a sharp transition in the ac susceptibility X(T), and pure c-axis orientation. Micrographs of thin films (< 0.5 m) showed a smooth morphology while thick films (>1 m) contained many crystallites sticking in the bulk material. Furthermore, in situ patterning was achieved during deposition by local laser heating of a selected substrate surface area. The resulting planar films contained amorphous, semiconducting parts only 1 mm or less apart from crystalline material showing the above HTSC quality.Presented at LASERION '91, June 12–14, 1991, München (Germany)     

Measurement of the electric form factor of the neutron at Q2 = 0.3-0.8 (GeV/ c) 2 ⋆

The electric form factor of the neutron, G_E,n, has been measured at the Mainz Microtron by recoil polarimetry in the quasielastic D(¯e, e¯n)p reaction. Three data points have been extracted at squared four-momentum transfers Q ² = 0.3, 0.6 and 0.8 (GeV/c)². Corrections for nuclear binding effects have been applied.This revised version was published online in March 2005. In the previous version, the email address of one author was inadvertently assigned to multiple authors.     

A Particle in a Magnetic Field of an Infinite Rectilinear Current

We consider the Schrödinger operator H=(i+A)² in the space L ₂(R ³) with a magnetic potential A created by an infinite rectilinear current. We show that the operator H is absolutely continuous, its spectrum has infinite multiplicity and coincides with the positive half-axis. Then we find the large-time behavior of solutions exp(–i H t)f of the time dependent Schrödinger equation. Our main observation is that a quantum particle has always a preferable (depending on its charge) direction of propagation along the current. Similar result is true in classical mechanics.     

Magnetoconductivity of thin epitaxial silver films

The magnetoconductance (MC) of thin epitaxial Ag films on Si(111) surfaces is studied as a function of film thickness (1–125 monolayers (ML)) at 20 K under ultra high vacuum (UHV) conditions. Three different regimes of magnetoconductance are observed depending on the degree of disorder in the films which is controlled by film thickness and annealing procedures. Thick films (d>3 ML) with diffuse electron transport show in the case of large elastic scattering times ₀ a classical, negative MC B ² and in the case of small ₀ a positive MC due to weak localization effects. The MC of thin films (d<2 ML) which have a conductance smaller than e ²/h, i.e. localized electron states, is negative again.     

Pulsed CO2 laser induced multiphoton decomposition of cyclobutanone: A comparison of predictions for three models of decomposition probability vs. fluence

The multiphoton decomposition (MPD) probability (f) for photolysis of cyclobutanone (pressure: 0.333 kPa) with a pulsed (pulse width: 40 ns) CO₂ laser tuned to the 9P(20) line, was studied,in a collimated beam geometry, as a function of fluence (=0.75 to 11.7 J/cm²). The values off () were fitted to three suggested 1- or 2-parameter models. Models with two parameters correlated the experimental values equally well, whereas a 1-parameter model was less accurate for low fluences. The MPD yield for two focussed beam geometries was measured and compared to predicted yields obtained by integrating the three models forf () over the focussed beam geometries. All three models predicted yields which agreed well with the measured values.Issued as AECL Contribution Number 8943AECL National Program Summer (1983)     

Optical properties of CdIn2Se4 thin films

The optical constants (the refractive index n, the absorption index k, and the absorption coefficient ) of CdIn₂Se₄ thin films were determined in the spectral range of 500–2000 nm. Graphical representation of log() as a function of log(1/) shows two distinct, linear parts indicating the existance of both direct and indirect optical transitions. The corresponding forbidden energy gaps E _g ^d and E _g ^Emphasis>d were determined. The effect of both annealing temperature as well as the substrate temperature on the optical constants of CdIn₂Se₄ thin films was also investigated.     

Bivariate distributions in statistical spectroscopy studies: IV. Interacting particle Gamow-Teller strength densities and β-decay rates offp-shell nuclei for presupernova stars

A method to calculate temperature dependent-decay rates is developed by writing the expression for the rates explicitly in terms of bivariateGT strength densities (I _O ^H _(GT)) for a given hamiltonianH=h+V and state densities of the parent nucleus besides having the usual phase space factors. The theory developed in the preceding paper (III) for constructing NIP strength densities is applied for generatingI _O ^h _(GT) and thenI _O ^H _(GT) is constructed using the bivariate convolution formI _O ^H _(GT)= _S I _O(GT) ^h,S _O(GT) ^V,S ; _BIV-G . The spreading bivariate Gaussian _O(GT) ^V ;BIV-G, forfp-shell nuclei, is constructed by assuming that the marginal centroids are zero, the marginal variances are same as the corresponding state density variances and fixing the bivariate correlation coefficient using experimental-decay half lifes. With the deduced values of 0.67,-S-decay rates for^61,62Fe and^62–64Co isotopes are calculated at presupernova matter densities=10⁷–10⁹ gm/cc, temperaturesT=(3–5)×10⁹ K and electron fractions Y_e=0.43–0.5. The convolution form forI _O(GT) ^H led to a simple expression for calculatingGT non-energy weighted sum rule strength and it describes (within 10%) the shell model results offp-shell nuclei.The work presented in this paper has grown out of many discussions and correspondence one of the authors (VKBK) has with J.B. French in the last five years and also out of an ongoing project one of the authors (VKBK) is carrying out with J.B. French and R.U. Haq. Thanks are due to K. Kar and S. Sarkar for supplying some of their results before publishing. The authors thank V. Potbhare for his interest in the work presented in this paper.     

The crossover from 2D to 3D percolation: Theory and numerical simulations

We describe here the crossover between 2D and 3D percolation, which we do on cubic and square lattices. As in all problems of critical phenomena, the quantities of interest can be expressed as power laws of , where and h are the percolation threshold and the thickness of the film, respectively. When these quantities are considered on the scale of the thickness h of the films, the corresponding numerical prefactors are of order one. However, for many problems, the scale of interest is the elementary one. The corresponding expressions contain then prefactors in power of h which we calculate. For instance, we show that the mass distribution n(m) of the clusters is given by a master function of , where h is the thickness of the film and are tabulated 2D and 3D critical exponents. We consider also the size R ²(m) of the clusters as a function of their mass m, for which we provide both scaling laws and numerical data. Therefore, any property corresponding to a given moment of mass and size can be obtained from our results. These results might be useful for describing transport properties, such as electric conductivity, or the mechanical properties of thin films made of disordered materials.Received: 24 October 2002, Published online: 26 August 2003PACS: 68.60.-p Physical properties of thin films, nonelectronic - 73.50.-h Electronic transport phenomena in thin films - 05.50. + q Lattice theory and statistics (Ising, Potts, etc.)     

Deviation of the plane-wave approximation for optical fields in thin metallic films at various frequencies and temperatures

The frequency and temperature dependence of the size effect on the profile distribution of electromagnetic fields inside thin metallic films within the anomalous skin-effect region is theoretically studied. The relaxation time of conduction electrons is stated as (aT +b ²)^–1 in accord with Matthiessen's rule for current conduction. The errors of using the plane wave solution e^–uWz turns out to be as large as 5.5% compared to the total field including the higher-order terms for silver films with a thickness of 30 nm. However, the imaginary parts of the electric field for thinner metal films at lower temperatures are less affected by higher-order terms.     

UV excimer laser photochemistry of hybrid organometallic compounds of gallium

The gas phase ultraviolet (UV) excimer laser induced photolysis of the gallium-alkyls Ga(t-C₄H₉) _n ^– (CH₃)_3–n (n=0, 1, 2, 3) was studied, using photolysis wavelengths of 308, 248, and 193 nm. The photofragments Ga, GaH, and GaCH₃ were detected by laser ionization time-of-flight mass spectroscopy, while the hydrocarbon products CH₄, C₂H₆, HC(CH₃)₃ and H₂C=C(CH₃)₂ were identified using Fourier transform infrared (FTIR) spectroscopy. The formation of the GaH photofragment, and a high olefin-to-alkane product ratio, for Ga(t-C₄H₉)₂(CH₃) and Ga(t-C₄H₉)₃ are interpreted to indicate a -hydrogen elimination process. However, -hydrogen elimination only occurs after fission of the weakest Ga-C bond, thus no -hydride elimination is observed for Ga(t-C₄H₉)(CH₃)₂. Detection of C₂H₆ for Ga(CH₃)₃ and Ga(t-C₄H₉)(CH₃)₂, but not for Ga(t-C₄H₉)₂(CH₃), shows that under our experimental conditions the formation of ethane is as a result of the reductive elimination of the methyl groups, and is not due to the recombination of two free methyl radicals.     

Determination of the gluon polarization at RHIC and COMPASS

The most recent determinations of the gluon polarization in the nucleon, , obtained at RHIC and COMPASS experiments, are reviewed. The former accesses the gluon polarization mainly through the production of neutral pions (PHENIX) or jets (STAR) in polarized proton collisions. The latter uses the photon-gluon fusion in polarized lepton-nucleon scattering, tagged either by open charm or high-p_T hadrons production. All the results are in good agreement, and favour values of ΔG roughly between 0 and 0.5 at a few (GeV/c)² , thus in contradiction with what could be derived from the Ellis-Jaffe sum rule and the axial anomaly. Much stronger constraints will be obtained in a near future by both programs, helping us to clarify the role of gluons in the nucleon spin.     

Indium tin oxide as an optical memory material

Indium Tin Oxide (ITO) films prepared by reactive rf sputtering show excellent properties for optical recording applications in a very narrow range of oxygen partial pressure (around 4×10^–5 Torr). This narrow range is at the edge of a plateau in the electrical conductivity of the films. A small increase in the oxygen partial pressure (P(O₂)5×10^–5 Torr) causes a large and abrupt change in the electrical conductivity as well as in the structural and optical properties of these films. In addition, irradiating films at the edge of the plateau (P(O₂)4×10^–5) with a low-power pulsed laser (25 mW) yields transparent films. These results suggest that the same mechanism may be responsible for the opaque to transparent transformations observed in these experiments.     

Structures and reactions of biomolecular ions produced with electrospray ionization

Photo-induced reaction of [Fe(III)-protoporphyrin]⁺ (hemin⁺) ions solvated with dimethylsulfoxide (DMSO) is investigated by using a tandem mass spectrometer with electrospray ionization. We measure the photodissociation yields of mass-selected hemin⁺(DMSO)_n clusters for n = 0-3. The mass spectra of the fragment ions show the -cleavage of carboxymethyl groups in addition to the evaporation of solvent molecules. Yield of the -cleavage reaction is found to depend strongly on the excitation energy and the number of solvent molecules. We also examine photo-induced reactions of multiply-charged cytochrome c ions, (M + nH)^{n +} ( n = 9-17). Photoionization is found to be the dominant process for the lower charged states ( n = 9-12) and its yield decreases rapidly with increasing the charge. The photoionization is ascribed to the emission of electron by multiphoton excitation of heme under the influence of Coulomb attractive potential arising from the charges in the polypeptide chain. Model calculations of the Coulomb potential suggest that the structure of the polypeptide chain is completely elongated.     

The high-pressure <Emphasis Type="Bold">α/β</Emphasis> phase transition in lead sulphide (PbS)

The high-pressure behaviour of PbS was investigated by angular dispersive X-ray powder diffraction up to pressures of 6.8 GPa. Experiments were accompanied by first principles calculations at the density functional theory level. By combining both methods reliable data for the elastic properties of rock-salt type α- and high-pressure β-PbS could be obtained. β-PbS could be determined to crystallise in the CrB-type (B33), with space group Cmcm. The reversible ferro-elastic α/β transition is of first order. It is accompanied by a large volume discontinuity of about 5% and a coexistence region of the two phases. A gliding mechanism of {001} bilayers along one of the cubic 〈110〉 directions governs the phase transition which can be described in terms of group/subgroup relationships via a common subgroup, despite its reconstructive character. The quadrupling of the primitive unit cell indicates a wave vector (0, 0,π/ a ) on the Δ-line of the Brillouin zone. Received 11 October 2002 Published online 14 February 2003 RID="a" ID="a"Also at: Institute of Physics of the Czech Academy of Sciences, Cukrovarnicka 10, 16253 Praha 6, Czech Republic e-mail: knorr@min.uni-kiel.de RID="b" ID="b"Present address: University of Cambridge, Cavendish Laboratory (TCM), Madingley Road, Cambridge CB3 0HE, UK RID="c" ID="c"Present address: Johann-Wolfgang Goethe Universit?t, Mineralogisches Institut, Kristallographie, Senckenberganlage 30, D 60054 Frankfurt a.M., Germany     

Statistical theory of force-induced unzipping of DNA

The unzipping transition under the influence of external force of a dsDNA molecule has been studied using the Peyrard-Bishop Hamiltonian. The critical force F_c(T) for unzipping calculated in the constant force ensemble is found to depend on the potential parameter k which measures the stiffness associated with a single strand of DNA and on D, the well depth of the on-site potential representing the strength of hydrogen bonds in a base pair. The dependence on temperature of F_c(T) is found to be (T_D - T)^1/2 (T_D being the thermal denaturation temperature) with F_c(T_D) = 0 and F_c(0) = . We used the constant extension ensemble to calculate the average force F(y) required to stretch a base pair a y distance apart. The value of F(y) needed to stretch a base pair located far away from the ends of a dsDNA molecule is found twice the value of the force needed to stretch a base pair located at one of the ends to the same distance for y 1.0 . The force F(y) in both cases is found to have a very large value for y 0.2 compared to the critical force found from the constant force ensemble to which F(y) approaches for large values of y. It is shown that the value of F(y) at the peak depends on the value of k which measures the energy barrier associated with the reduction in DNA strand rigidity as one passes from dsDNA to ssDNA and on the value of the depth of the on-site potential. The effect of defects on the position and height of the peak in the F(y) curve is investigated by replacing some of the base pairs including the one being stretched by defect base pairs. The formation and behaviour of a loop of Y shape when one of the ends base pair is stretched and a bubble of ssDNA with the shape of an eye when a base pair far from ends is stretched are investigated.